CID 12492

Clopamide

Structural Information

Molecular Formula
C14H20ClN3O3S
SMILES
C[C@@H]1CCC[C@@H](N1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C
InChI
InChI=1S/C14H20ClN3O3S/c1-9-4-3-5-10(2)18(9)17-14(19)11-6-7-12(15)13(8-11)22(16,20)21/h6-10H,3-5H2,1-2H3,(H,17,19)(H2,16,20,21)/t9-,10+
InChIKey
LBXHRAWDUMTPSE-AOOOYVTPSA-N
Compound name
4-chloro-N-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

335
References

4102
Patents

345.0914 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.09868 176.9
[M+Na]+ 368.08062 183.5
[M-H]- 344.08412 181.6
[M+NH4]+ 363.12522 189.5
[M+K]+ 384.05456 178.1
[M+H-H2O]+ 328.08866 170.3
[M+HCOO]- 390.08960 185.8
[M+CH3COO]- 404.10525 212.0
[M+Na-2H]- 366.06607 176.3
[M]+ 345.09085 176.7
[M]- 345.09195 176.7
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