PubChemLite - 2-naphthalenesulfonamide, 6-hydroxy-n-(2-hydroxyethyl)-n-methyl-5-[[4-(phenylazo)phenyl]azo]- (C25H23N5O4S)

Structural Information

Molecular Formula

SMILES

CN(CCO)S(=O)(=O)C1=CC2=C(C=C1)C(=C(C=C2)O)N=NC3=CC=C(C=C3)N=NC4=CC=CC=C4

InChI

InChI=1S/C25H23N5O4S/c1-30(15-16-31)35(33,34)22-12-13-23-18(17-22)7-14-24(32)25(23)29-28-21-10-8-20(9-11-21)27-26-19-5-3-2-4-6-19/h2-14,17,31-32H,15-16H2,1H3

InChIKey

JHXOIDWDLSOQJD-UHFFFAOYSA-N

Compound name

6-hydroxy-N-(2-hydroxyethyl)-N-methyl-5-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-2-sulfonamide

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]+	490.15434	212.5
[M+Na]+	512.13628	217.4
[M-H]-	488.13978	225.9
[M+NH4]+	507.18088	220.5
[M+K]+	528.11022	213.8
[M+H-H2O]+	472.14432	200.3
[M+HCOO]-	534.14526	236.6
[M+CH3COO]-	548.16091	254.6
[M+Na-2H]-	510.12173	220.9
[M]+	489.14651	218.3
[M]-	489.14761	218.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

490.15434

212.5

[M+Na]+

512.13628

217.4

[M-H]-

488.13978

225.9

[M+NH4]+

507.18088

220.5

[M+K]+

528.11022

213.8

[M+H-H2O]+

472.14432

200.3

[M+HCOO]-

534.14526

236.6

[M+CH3COO]-

548.16091

254.6

[M+Na-2H]-

510.12173

220.9

[M]+

489.14651

218.3

[M]-

489.14761

218.3

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

2-naphthalenesulfonamide, 6-hydroxy-n-(2-hydroxyethyl)-n-methyl-5-[[4-(phenylazo)phenyl]azo]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe