CID 101623323

N-desmethylitopridehydrochloride

Structural Information

Molecular Formula
C19H24N2O4
SMILES
CNCCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C19H24N2O4/c1-20-10-11-25-16-7-4-14(5-8-16)13-21-19(22)15-6-9-17(23-2)18(12-15)24-3/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22)
InChIKey
PQXWITYMLHHNDW-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-N-[[4-[2-(methylamino)ethoxy]phenyl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1736 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18088 183.5
[M+Na]+ 367.16282 194.7
[M+NH4]+ 362.20742 189.5
[M+K]+ 383.13676 188.0
[M-H]- 343.16632 187.6
[M+Na-2H]- 365.14827 190.2
[M]+ 344.17305 186.0
[M]- 344.17415 186.0
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.