CID 11624852

Chembl606453

Structural Information

Molecular Formula
C16H17ClN2O4S
SMILES
C1=CC(=CC=C1CCNC(=O)CC2=CC(=C(C=C2)O)Cl)S(=O)(=O)N
InChI
InChI=1S/C16H17ClN2O4S/c17-14-9-12(3-6-15(14)20)10-16(21)19-8-7-11-1-4-13(5-2-11)24(18,22)23/h1-6,9,20H,7-8,10H2,(H,19,21)(H2,18,22,23)
InChIKey
MALIONKMKPITBV-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
Patents

368.05975 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.06703 181.2
[M+Na]+ 391.04897 188.3
[M-H]- 367.05247 186.3
[M+NH4]+ 386.09357 193.3
[M+K]+ 407.02291 181.8
[M+H-H2O]+ 351.05701 174.6
[M+HCOO]- 413.05795 193.8
[M+CH3COO]- 427.07360 212.8
[M+Na-2H]- 389.03442 182.7
[M]+ 368.05920 184.6
[M]- 368.06030 184.6
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