PubChemLite - Dtxsid20884142 (C16H15N5O4S)

Structural Information

Molecular Formula

SMILES

CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)O)C3=CC=CC=C3

InChI

InChI=1S/C16H15N5O4S/c1-10-15(16(23)21(20-10)11-5-3-2-4-6-11)19-18-13-9-12(26(17,24)25)7-8-14(13)22/h2-9,15,22H,1H3,(H2,17,24,25)

InChIKey

NHWBSZWMFRVBEV-UHFFFAOYSA-N

Compound name

4-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-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]+	374.09175	185.0
[M+Na]+	396.07369	194.1
[M-H]-	372.07719	194.5
[M+NH4]+	391.11829	196.2
[M+K]+	412.04763	189.2
[M+H-H2O]+	356.08173	175.8
[M+HCOO]-	418.08267	205.4
[M+CH3COO]-	432.09832	221.7
[M+Na-2H]-	394.05914	187.7
[M]+	373.08392	187.8
[M]-	373.08502	187.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

374.09175

185.0

[M+Na]+

396.07369

194.1

[M-H]-

372.07719

194.5

[M+NH4]+

391.11829

196.2

[M+K]+

412.04763

189.2

[M+H-H2O]+

356.08173

175.8

[M+HCOO]-

418.08267

205.4

[M+CH3COO]-

432.09832

221.7

[M+Na-2H]-

394.05914

187.7

[M]+

373.08392

187.8

[M]-

373.08502

187.8

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

Dtxsid20884142

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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