CID 456729

29645-74-7

Structural Information

Molecular Formula

C₁₃H₁₃N₃O₃S

SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NN

InChI

InChI=1S/C13H13N3O3S/c14-15-13(17)10-6-8-11(9-7-10)16-20(18,19)12-4-2-1-3-5-12/h1-9,16H,14H2,(H,15,17)

InChIKey

HNEHBLIAHGGOKX-UHFFFAOYSA-N

Compound name

N-[4-(hydrazinecarbonyl)phenyl]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 291.06775 Da
Monoisotopic Mass: 0.8
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]+	292.07503	162.1
[M+Na]+	314.05697	168.1
[M-H]-	290.06047	168.2
[M+NH4]+	309.10157	176.2
[M+K]+	330.03091	163.6
[M+H-H2O]+	274.06501	154.0
[M+HCOO]-	336.06595	182.4
[M+CH3COO]-	350.08160	203.0
[M+Na-2H]-	312.04242	167.5
[M]+	291.06720	161.0
[M]-	291.06830	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe