CID 5335

Sulfaphenazole

Structural Information

Molecular Formula

C₁₅H₁₄N₄O₂S

SMILES

C1=CC=C(C=C1)N2C(=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2

InChIKey

QWCJHSGMANYXCW-UHFFFAOYSA-N

Compound name

4-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 544
References: 5824
Patents: 314.08374 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

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]+	315.09102	169.7
[M+Na]+	337.07296	178.6
[M-H]-	313.07646	177.5
[M+NH4]+	332.11756	182.8
[M+K]+	353.04690	172.6
[M+H-H2O]+	297.08100	160.9
[M+HCOO]-	359.08194	189.0
[M+CH3COO]-	373.09759	180.9
[M+Na-2H]-	335.05841	174.2
[M]+	314.08319	170.1
[M]-	314.08429	170.1

Literature stripe

literature stripe

Patent stripe

patents stripe