CID 768320

16803-97-7

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₂S

SMILES

C1=CC(=CC=C1N)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H13N3O2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H,13-14H2

InChIKey

LWOAIKNLRVQTFT-UHFFFAOYSA-N

Compound name

4-amino-N-(4-aminophenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 518
Patents: 263.07285 Da
Monoisotopic Mass: 1.4
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]+	264.08013	155.3
[M+Na]+	286.06207	162.9
[M-H]-	262.06557	161.4
[M+NH4]+	281.10667	170.8
[M+K]+	302.03601	157.7
[M+H-H2O]+	246.07011	147.8
[M+HCOO]-	308.07105	175.9
[M+CH3COO]-	322.08670	199.0
[M+Na-2H]-	284.04752	160.4
[M]+	263.07230	153.3
[M]-	263.07340	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe