CID 85542

N-(2-(4-(aminosulphonyl)phenyl)ethyl)-5-chloro-2-methoxybenzamide

Structural Information

Molecular Formula
C16H17ClN2O4S
SMILES
COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C16H17ClN2O4S/c1-23-15-7-4-12(17)10-14(15)16(20)19-9-8-11-2-5-13(6-3-11)24(18,21)22/h2-7,10H,8-9H2,1H3,(H,19,20)(H2,18,21,22)
InChIKey
KVWWTCSJLGHLRM-UHFFFAOYSA-N
Compound name
5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

149
Patents

368.05975 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.06703 181.6
[M+Na]+ 391.04897 189.3
[M-H]- 367.05247 188.2
[M+NH4]+ 386.09357 194.5
[M+K]+ 407.02291 183.5
[M+H-H2O]+ 351.05701 174.7
[M+HCOO]- 413.05795 195.7
[M+CH3COO]- 427.07360 215.0
[M+Na-2H]- 389.03442 183.5
[M]+ 368.05920 186.9
[M]- 368.06030 186.9
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