PubChemLite - Qk7he9xw3h (C16H13N3O4S)

Structural Information

Molecular Formula

C₁₆H₁₃N₃O₄S

SMILES

C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)N)O)O

InChI

InChI=1S/C16H13N3O4S/c17-24(22,23)11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21/h1-9,20-21H,(H2,17,22,23)

InChIKey

VIEKHUZQPKISOF-UHFFFAOYSA-N

Compound name

4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide

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]+	344.06996	173.6
[M+Na]+	366.05190	182.2
[M-H]-	342.05540	181.3
[M+NH4]+	361.09650	187.2
[M+K]+	382.02584	177.3
[M+H-H2O]+	326.05994	165.5
[M+HCOO]-	388.06088	193.8
[M+CH3COO]-	402.07653	215.2
[M+Na-2H]-	364.03735	180.8
[M]+	343.06213	175.9
[M]-	343.06323	175.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

344.06996

173.6

[M+Na]+

366.05190

182.2

[M-H]-

342.05540

181.3

[M+NH4]+

361.09650

187.2

[M+K]+

382.02584

177.3

[M+H-H2O]+

326.05994

165.5

[M+HCOO]-

388.06088

193.8

[M+CH3COO]-

402.07653

215.2

[M+Na-2H]-

364.03735

180.8

[M]+

343.06213

175.9

[M]-

343.06323

175.9

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

Qk7he9xw3h

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe