PubChemLite - Mosapride (C21H25ClFN3O3)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	422.16414	203.2
[M+Na]+	444.14608	208.6
[M-H]-	420.14958	209.6
[M+NH4]+	439.19068	210.5
[M+K]+	460.12002	203.3
[M+H-H2O]+	404.15412	192.1
[M+HCOO]-	466.15506	215.4
[M+CH3COO]-	480.17071	230.2
[M+Na-2H]-	442.13153	201.7
[M]+	421.15631	202.9
[M]-	421.15741	202.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

422.16414

203.2

[M+Na]+

444.14608

208.6

[M-H]-

420.14958

209.6

[M+NH4]+

439.19068

210.5

[M+K]+

460.12002

203.3

[M+H-H2O]+

404.15412

192.1

[M+HCOO]-

466.15506

215.4

[M+CH3COO]-

480.17071

230.2

[M+Na-2H]-

442.13153

201.7

[M]+

421.15631

202.9

[M]-

421.15741

202.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Mosapride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe