CID 16773286

N-(4-amino-2-chlorophenyl)-3-methanesulfonylbenzamide

Structural Information

Molecular Formula
C14H13ClN2O3S
SMILES
CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C14H13ClN2O3S/c1-21(19,20)11-4-2-3-9(7-11)14(18)17-13-6-5-10(16)8-12(13)15/h2-8H,16H2,1H3,(H,17,18)
InChIKey
YRXPJZAAILNCSG-UHFFFAOYSA-N
Compound name
N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.03354 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.04082 170.2
[M+Na]+ 347.02276 179.0
[M-H]- 323.02626 177.2
[M+NH4]+ 342.06736 185.0
[M+K]+ 362.99670 173.0
[M+H-H2O]+ 307.03080 163.9
[M+HCOO]- 369.03174 184.7
[M+CH3COO]- 383.04739 206.8
[M+Na-2H]- 345.00821 172.7
[M]+ 324.03299 173.3
[M]- 324.03409 173.3
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.