1,3-naphthalenedisulfonic acid, 8-((4'-((4-ethoxyphenyl)azo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxy-, disodium salt (C30H24N4O8S2)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=C(C=CC5=CC(=CC(=C54)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C30H24N4O8S2/c1-2-42-25-14-12-24(13-15-25)32-31-22-8-3-19(4-9-22)20-5-10-23(11-6-20)33-34-30-27(35)16-7-21-17-26(43(36,37)38)18-28(29(21)30)44(39,40)41/h3-18,35H,2H2,1H3,(H,36,37,38)(H,39,40,41)

InChIKey

WFDQLHCSKAIOER-UHFFFAOYSA-N

Compound name

8-[[4-[4-[(4-ethoxyphenyl)diazenyl]phenyl]phenyl]diazenyl]-7-hydroxynaphthalene-1,3-disulfonic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	633.110876	243.2
[M+Na]+	655.092818	247.6
[M-H]-	631.096324	255.7
[M+NH4]+	650.137423	243.8
[M+K]+	671.066758	243.4
[M+H-H2O]+	615.100860	230.7
[M+HCOO]-	677.101801	257.6
[M+CH3COO]-	691.117451	270.2
[M+Na-2H]-	653.078266	253.3
[M]+	632.10305142	250.4
[M]-	632.10414858	250.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

633.110876

243.2

[M+Na]+

655.092818

247.6

[M-H]-

631.096324

255.7

[M+NH4]+

650.137423

243.8

[M+K]+

671.066758

243.4

[M+H-H2O]+

615.100860

230.7

[M+HCOO]-

677.101801

257.6

[M+CH3COO]-

691.117451

270.2

[M+Na-2H]-

653.078266

253.3

[M]+

632.10305142

250.4

[M]-

632.10414858

250.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1,3-naphthalenedisulfonic acid, 8-((4'-((4-ethoxyphenyl)azo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxy-, disodium salt

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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