CID 68880

Prosulpride

Structural Information

Molecular Formula
C16H25N3O4S
SMILES
CCCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
InChI
InChI=1S/C16H25N3O4S/c1-3-8-19-9-4-5-12(19)11-18-16(20)14-10-13(24(17,21)22)6-7-15(14)23-2/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,18,20)(H2,17,21,22)
InChIKey
SZEAUPPGLDXGJG-UHFFFAOYSA-N
Compound name
2-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

50
Patents

355.1566 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.163876 183.0
[M+Na]+ 378.145818 187.9
[M-H]- 354.149324 187.5
[M+NH4]+ 373.190423 195.9
[M+K]+ 394.119758 184.3
[M+H-H2O]+ 338.153860 175.3
[M+HCOO]- 400.154801 198.2
[M+CH3COO]- 414.170451 214.6
[M+Na-2H]- 376.131266 181.5
[M]+ 355.15605142 184.6
[M]- 355.15714858 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