CID 819328

Itopride impurity b

Structural Information

Molecular Formula
C17H19NO4
SMILES
COC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C17H19NO4/c1-20-14-7-4-12(5-8-14)11-18-17(19)13-6-9-15(21-2)16(10-13)22-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKey
VBGRNWZUXVXFFU-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-N-[(4-methoxyphenyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1314 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13868 170.1
[M+Na]+ 324.12062 183.1
[M+NH4]+ 319.16522 177.1
[M+K]+ 340.09456 176.5
[M-H]- 300.12412 174.1
[M+Na-2H]- 322.10607 177.8
[M]+ 301.13085 173.0
[M]- 301.13195 173.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

No patent data available for this compound.