CID 720086

4-acetamido-n-(3-nitrophenyl)benzenesulfonamide

Structural Information

Molecular Formula
C14H13N3O5S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H13N3O5S/c1-10(18)15-11-5-7-14(8-6-11)23(21,22)16-12-3-2-4-13(9-12)17(19)20/h2-9,16H,1H3,(H,15,18)
InChIKey
YNJQNZHJCLLYOD-UHFFFAOYSA-N
Compound name
N-[4-[(3-nitrophenyl)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.0576 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.06488 169.7
[M+Na]+ 358.04682 174.4
[M-H]- 334.05032 176.3
[M+NH4]+ 353.09142 181.4
[M+K]+ 374.02076 166.5
[M+H-H2O]+ 318.05486 165.8
[M+HCOO]- 380.05580 190.1
[M+CH3COO]- 394.07145 203.1
[M+Na-2H]- 356.03227 176.9
[M]+ 335.05705 169.0
[M]- 335.05815 169.0
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.