CID 10021692

Fallypride

Structural Information

Molecular Formula
C20H29FN2O3
SMILES
COC1=CC(=CC(=C1OC)C(=O)NC[C@@H]2CCCN2CC=C)CCCF
InChI
InChI=1S/C20H29FN2O3/c1-4-10-23-11-6-8-16(23)14-22-20(24)17-12-15(7-5-9-21)13-18(25-2)19(17)26-3/h4,12-13,16H,1,5-11,14H2,2-3H3,(H,22,24)/t16-/m0/s1
InChIKey
OABRYNHZQBZDMG-INIZCTEOSA-N
Compound name
5-(3-fluoropropyl)-2,3-dimethoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

79
References

233
Patents

364.21622 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.22350 189.4
[M+Na]+ 387.20544 194.0
[M-H]- 363.20894 192.5
[M+NH4]+ 382.25004 202.2
[M+K]+ 403.17938 189.7
[M+H-H2O]+ 347.21348 179.7
[M+HCOO]- 409.21442 208.2
[M+CH3COO]- 423.23007 220.2
[M+Na-2H]- 385.19089 185.8
[M]+ 364.21567 190.9
[M]- 364.21677 190.9
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