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
4
Annotation Hits

103
References

1513
Patents

383.1515 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15878 189.1
[M+Na]+ 406.14072 194.3
[M-H]- 382.14422 193.7
[M+NH4]+ 401.18532 200.8
[M+K]+ 422.11466 190.6
[M+H-H2O]+ 366.14876 181.4
[M+HCOO]- 428.14970 204.3
[M+CH3COO]- 442.16535 220.4
[M+Na-2H]- 404.12617 186.9
[M]+ 383.15095 192.1
[M]- 383.15205 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.