PubChemLite - 154730-83-3 (C24H28N4O6S2)

Structural Information

Molecular Formula

SMILES

CCN(C1CCCCC1)S(=O)(=O)C2=CC=CC=C2N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)O)N

InChI

InChI=1S/C24H28N4O6S2/c1-2-28(17-8-4-3-5-9-17)35(30,31)22-11-7-6-10-20(22)26-27-24-19(25)13-12-16-14-18(36(32,33)34)15-21(29)23(16)24/h6-7,10-15,17,29H,2-5,8-9,25H2,1H3,(H,32,33,34)

InChIKey

RBPIXFYFBQMXAA-UHFFFAOYSA-N

Compound name

6-amino-5-[[2-[cyclohexyl(ethyl)sulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic 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]+	533.15228	215.9
[M+Na]+	555.13422	218.0
[M-H]-	531.13772	224.0
[M+NH4]+	550.17882	220.7
[M+K]+	571.10816	213.7
[M+H-H2O]+	515.14226	206.3
[M+HCOO]-	577.14320	225.3
[M+CH3COO]-	591.15885	253.1
[M+Na-2H]-	553.11967	222.5
[M]+	532.14445	216.7
[M]-	532.14555	216.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

533.15228

215.9

[M+Na]+

555.13422

218.0

[M-H]-

531.13772

224.0

[M+NH4]+

550.17882

220.7

[M+K]+

571.10816

213.7

[M+H-H2O]+

515.14226

206.3

[M+HCOO]-

577.14320

225.3

[M+CH3COO]-

591.15885

253.1

[M+Na-2H]-

553.11967

222.5

[M]+

532.14445

216.7

[M]-

532.14555

216.7

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

154730-83-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe