CID 119584

Mosapride

Structural Information

Molecular Formula
C21H25ClFN3O3
SMILES
CCOC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=C(C=C3)F)Cl)N
InChI
InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)
InChIKey
YPELFRMCRYSPKZ-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

368
References

4790
Patents

421.15686 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.16414 201.9
[M+Na]+ 444.14608 213.6
[M+NH4]+ 439.19068 207.4
[M+K]+ 460.12002 206.3
[M-H]- 420.14958 207.4
[M+Na-2H]- 442.13153 207.1
[M]+ 421.15631 205.1
[M]- 421.15741 205.1
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