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

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

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.