CID 3018871

N-[4-[[(4-chloro-3-nitrophenyl)sulphonyl]amino]phenyl]acetamide

Structural Information

Molecular Formula
C14H12ClN3O5S
SMILES
CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H12ClN3O5S/c1-9(19)16-10-2-4-11(5-3-10)17-24(22,23)12-6-7-13(15)14(8-12)18(20)21/h2-8,17H,1H3,(H,16,19)
InChIKey
FAGBGCWSFWSOHI-UHFFFAOYSA-N
Compound name
N-[4-[(4-chloro-3-nitrophenyl)sulfonylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.01862 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.02590 177.0
[M+Na]+ 392.00784 182.8
[M-H]- 368.01134 183.8
[M+NH4]+ 387.05244 188.5
[M+K]+ 407.98178 173.7
[M+H-H2O]+ 352.01588 174.5
[M+HCOO]- 414.01682 192.8
[M+CH3COO]- 428.03247 208.0
[M+Na-2H]- 389.99329 183.0
[M]+ 369.01807 179.0
[M]- 369.01917 179.0
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

patents stripe