CID 9104371

3-(aminosulfonyl)-4-chloro-n-(2-methylbenzyl)benzamide

Structural Information

Molecular Formula
C15H15ClN2O3S
SMILES
CC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N
InChI
InChI=1S/C15H15ClN2O3S/c1-10-4-2-3-5-12(10)9-18-15(19)11-6-7-13(16)14(8-11)22(17,20)21/h2-8H,9H2,1H3,(H,18,19)(H2,17,20,21)
InChIKey
KECVQWXZXRDPJD-UHFFFAOYSA-N
Compound name
4-chloro-N-[(2-methylphenyl)methyl]-3-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

338.0492 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.05648 174.6
[M+Na]+ 361.03842 183.0
[M-H]- 337.04192 181.4
[M+NH4]+ 356.08302 188.8
[M+K]+ 377.01236 176.7
[M+H-H2O]+ 321.04646 168.1
[M+HCOO]- 383.04740 188.8
[M+CH3COO]- 397.06305 209.8
[M+Na-2H]- 359.02387 176.6
[M]+ 338.04865 178.1
[M]- 338.04975 178.1
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