PubChemLite - 100556-82-9 (C26H21N5O11S4)

Structural Information

Molecular Formula

SMILES

C=CS(=O)(=O)C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=CC=C(C=C4)S(=O)(=O)C=C)N)O

InChI

InChI=1S/C26H21N5O11S4/c1-3-43(33,34)18-9-5-16(6-10-18)28-30-24-20(45(37,38)39)13-15-14-21(46(40,41)42)25(26(32)22(15)23(24)27)31-29-17-7-11-19(12-8-17)44(35,36)4-2/h3-14,32H,1-2,27H2,(H,37,38,39)(H,40,41,42)

InChIKey

WYGMBYLSKDVOKF-UHFFFAOYSA-N

Compound name

4-amino-3,6-bis[(4-ethenylsulfonylphenyl)diazenyl]-5-hydroxynaphthalene-2,7-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]+	708.01928	240.9
[M+Na]+	730.00122	254.4
[M-H]-	706.00472	244.4
[M+NH4]+	725.04582	247.6
[M+K]+	745.97516	241.2
[M+H-H2O]+	690.00926	228.9
[M+HCOO]-	752.01020	249.1
[M+CH3COO]-	766.02585	277.5
[M+Na-2H]-	727.98667	264.2
[M]+	707.01145	278.6
[M]-	707.01255	278.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

708.01928

240.9

[M+Na]+

730.00122

254.4

[M-H]-

706.00472

244.4

[M+NH4]+

725.04582

247.6

[M+K]+

745.97516

241.2

[M+H-H2O]+

690.00926

228.9

[M+HCOO]-

752.01020

249.1

[M+CH3COO]-

766.02585

277.5

[M+Na-2H]-

727.98667

264.2

[M]+

707.01145

278.6

[M]-

707.01255

278.6

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

100556-82-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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