CID 49019

67032-35-3

Structural Information

Molecular Formula
C19H23NO4
SMILES
CN(C)CC(C1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H23NO4/c1-20(2)13-18(24-19(21)14-8-6-5-7-9-14)15-10-11-16(22-3)17(12-15)23-4/h5-12,18H,13H2,1-4H3
InChIKey
PWQJKNJUEZPPKO-UHFFFAOYSA-N
Compound name
[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.16272 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17000 177.9
[M+Na]+ 352.15194 189.9
[M+NH4]+ 347.19654 184.6
[M+K]+ 368.12588 184.0
[M-H]- 328.15544 181.8
[M+Na-2H]- 350.13739 185.2
[M]+ 329.16217 180.6
[M]- 329.16327 180.6
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.