CID 47979

Veralipride

Structural Information

Molecular Formula
C17H25N3O5S
SMILES
COC1=CC(=CC(=C1OC)C(=O)NCC2CCCN2CC=C)S(=O)(=O)N
InChI
InChI=1S/C17H25N3O5S/c1-4-7-20-8-5-6-12(20)11-19-17(21)14-9-13(26(18,22)23)10-15(24-2)16(14)25-3/h4,9-10,12H,1,5-8,11H2,2-3H3,(H,19,21)(H2,18,22,23)
InChIKey
RYJXBGGBZJGVQF-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

103
References

1535
Patents

383.1515 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.158776 189.1
[M+Na]+ 406.140718 194.3
[M-H]- 382.144224 193.7
[M+NH4]+ 401.185323 200.8
[M+K]+ 422.114658 190.6
[M+H-H2O]+ 366.148760 181.4
[M+HCOO]- 428.149701 204.3
[M+CH3COO]- 442.165351 220.4
[M+Na-2H]- 404.126166 186.9
[M]+ 383.15095142 192.1
[M]- 383.15204858 192.1
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