CID 85542

16673-34-0

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: 133
Patents: 368.05975 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	369.06703	182.8
[M+Na]+	391.04897	194.1
[M+NH4]+	386.09357	188.9
[M+K]+	407.02291	186.5
[M-H]-	367.05247	185.8
[M+Na-2H]-	389.03442	189.1
[M]+	368.05920	185.8
[M]-	368.06030	185.8

Literature stripe

literature stripe

Patent stripe

patents stripe