CID 458073

P-nitro-n-sulfanilylbenzamide

Structural Information

Molecular Formula
C13H11N3O5S
SMILES
C1=CC(=CC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)N)[N+](=O)[O-]
InChI
InChI=1S/C13H11N3O5S/c14-10-3-7-12(8-4-10)22(20,21)15-13(17)9-1-5-11(6-2-9)16(18)19/h1-8H,14H2,(H,15,17)
InChIKey
HLIRSRUFQBURJT-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)sulfonyl-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

321.04193 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.04921 165.5
[M+Na]+ 344.03115 170.6
[M-H]- 320.03465 171.7
[M+NH4]+ 339.07575 177.5
[M+K]+ 360.00509 162.6
[M+H-H2O]+ 304.03919 161.8
[M+HCOO]- 366.04013 185.5
[M+CH3COO]- 380.05578 199.5
[M+Na-2H]- 342.01660 172.1
[M]+ 321.04138 163.5
[M]- 321.04248 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.