CID 3051968

Benzeneacetamide, n-(4-(aminosulfonyl)-2-chlorophenyl)-

Structural Information

Molecular Formula
C14H13ClN2O3S
SMILES
C1=CC=C(C=C1)CC(=O)NC2=C(C=C(C=C2)S(=O)(=O)N)Cl
InChI
InChI=1S/C14H13ClN2O3S/c15-12-9-11(21(16,19)20)6-7-13(12)17-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)(H2,16,19,20)
InChIKey
PCTUCNXXOLZRTM-UHFFFAOYSA-N
Compound name
N-(2-chloro-4-sulfamoylphenyl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

324.03354 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.04082 170.1
[M+Na]+ 347.02276 178.2
[M-H]- 323.02626 176.8
[M+NH4]+ 342.06736 184.6
[M+K]+ 362.99670 172.0
[M+H-H2O]+ 307.03080 163.6
[M+HCOO]- 369.03174 184.7
[M+CH3COO]- 383.04739 205.6
[M+Na-2H]- 345.00821 173.3
[M]+ 324.03299 172.9
[M]- 324.03409 172.9
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

patents stripe