CID 5355

Sulpiride

Structural Information

Molecular Formula
C15H23N3O4S
SMILES
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
InChI
InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
InChIKey
BGRJTUBHPOOWDU-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

4828
References

39705
Patents

341.14093 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14821 178.8
[M+Na]+ 364.13015 185.3
[M+NH4]+ 359.17475 183.5
[M+K]+ 380.10409 182.0
[M-H]- 340.13365 179.5
[M+Na-2H]- 362.11560 181.3
[M]+ 341.14038 179.8
[M]- 341.14148 179.8
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