CID 3792

Itopride

Structural Information

Molecular Formula
C20H26N2O4
SMILES
CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C20H26N2O4/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4/h5-10,13H,11-12,14H2,1-4H3,(H,21,23)
InChIKey
QQQIECGTIMUVDS-UHFFFAOYSA-N
Compound name
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

152
References

2788
Patents

358.18927 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19655 187.0
[M+Na]+ 381.17849 191.6
[M-H]- 357.18199 194.6
[M+NH4]+ 376.22309 199.6
[M+K]+ 397.15243 190.3
[M+H-H2O]+ 341.18653 177.2
[M+HCOO]- 403.18747 211.7
[M+CH3COO]- 417.20312 224.5
[M+Na-2H]- 379.16394 188.5
[M]+ 358.18872 193.3
[M]- 358.18982 193.3
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