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
5
Annotation Hits

152
References

2768
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.