CID 3038478

Isosulpride

Structural Information

Molecular Formula
C15H23N3O4S
SMILES
CCN1CCCC1CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N)OC
InChI
InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)9-15(19)17-13-10-12(23(16,20)21)6-7-14(13)22-2/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,19)(H2,16,20,21)
InChIKey
VJIIYEHOXLPKBX-UHFFFAOYSA-N
Compound name
2-(1-ethylpyrrolidin-2-yl)-N-(2-methoxy-5-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

341.14093 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14821 178.7
[M+Na]+ 364.13015 184.1
[M-H]- 340.13365 183.4
[M+NH4]+ 359.17475 192.2
[M+K]+ 380.10409 180.7
[M+H-H2O]+ 324.13819 171.2
[M+HCOO]- 386.13913 194.3
[M+CH3COO]- 400.15478 211.6
[M+Na-2H]- 362.11560 177.7
[M]+ 341.14038 180.0
[M]- 341.14148 180.0
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.