CID 3018598

Sulmepride

Structural Information

Molecular Formula
C14H21N3O4S
SMILES
CN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
InChI
InChI=1S/C14H21N3O4S/c1-17-7-3-4-10(17)9-16-14(18)12-8-11(22(15,19)20)5-6-13(12)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18)(H2,15,19,20)
InChIKey
QCKAYJICSQJJCU-UHFFFAOYSA-N
Compound name
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

36
Patents

327.12527 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.13255 174.5
[M+Na]+ 350.11449 180.3
[M-H]- 326.11799 179.4
[M+NH4]+ 345.15909 188.5
[M+K]+ 366.08843 177.1
[M+H-H2O]+ 310.12253 167.2
[M+HCOO]- 372.12347 190.4
[M+CH3COO]- 386.13912 208.6
[M+Na-2H]- 348.09994 173.9
[M]+ 327.12472 175.4
[M]- 327.12582 175.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.