CID 252465

Nsc74428

Structural Information

Molecular Formula
C13H14N4O3S
SMILES
C1=CC(=CC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)N)NN
InChI
InChI=1S/C13H14N4O3S/c14-10-3-7-12(8-4-10)21(19,20)17-13(18)9-1-5-11(16-15)6-2-9/h1-8,16H,14-15H2,(H,17,18)
InChIKey
MMIUOCAZKIWRSE-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)sulfonyl-4-hydrazinylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

306.07867 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08595 165.1
[M+Na]+ 329.06789 170.9
[M-H]- 305.07139 170.8
[M+NH4]+ 324.11249 178.1
[M+K]+ 345.04183 166.3
[M+H-H2O]+ 289.07593 156.8
[M+HCOO]- 351.07687 185.6
[M+CH3COO]- 365.09252 209.3
[M+Na-2H]- 327.05334 169.6
[M]+ 306.07812 162.7
[M]- 306.07922 162.7
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.