CID 202201

Benzenesulfonic acid, (o-aminobenzoyl)hydrazide

Structural Information

Molecular Formula

C₁₃H₁₃N₃O₃S

SMILES

C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=CC=C2N

InChI

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

InChIKey

KXJZFQSZKMZRBR-UHFFFAOYSA-N

Compound name

2-amino-N'-(benzenesulfonyl)benzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.06775 Da
Monoisotopic Mass: 1.9
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]+	292.075026	162.1
[M+Na]+	314.056968	168.1
[M-H]-	290.060474	168.2
[M+NH4]+	309.101573	176.2
[M+K]+	330.030908	163.6
[M+H-H2O]+	274.065010	154.0
[M+HCOO]-	336.065951	182.4
[M+CH3COO]-	350.081601	203.0
[M+Na-2H]-	312.042416	167.5
[M]+	291.06720142	161.0
[M]-	291.06829858	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.