CID 3052728

69226-70-6

Structural Information

Molecular Formula
C19H23NO4
SMILES
CN(C)CC(C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C19H23NO4/c1-20(2)13-18(14-8-6-5-7-9-14)24-19(21)15-10-11-16(22-3)17(12-15)23-4/h5-12,18H,13H2,1-4H3
InChIKey
ILUFRLNOHRBCJZ-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)-1-phenylethyl] 3,4-dimethoxybenzoate
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 178.7
[M+Na]+ 352.15194 183.5
[M-H]- 328.15544 186.4
[M+NH4]+ 347.19654 192.5
[M+K]+ 368.12588 182.9
[M+H-H2O]+ 312.15998 169.6
[M+HCOO]- 374.16092 201.9
[M+CH3COO]- 388.17657 216.0
[M+Na-2H]- 350.13739 179.9
[M]+ 329.16217 184.5
[M]- 329.16327 184.5
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.