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]+ 330.169996 178.7
[M+Na]+ 352.151938 183.5
[M-H]- 328.155444 186.4
[M+NH4]+ 347.196543 192.5
[M+K]+ 368.125878 182.9
[M+H-H2O]+ 312.159980 169.6
[M+HCOO]- 374.160921 201.9
[M+CH3COO]- 388.176571 216.0
[M+Na-2H]- 350.137386 179.9
[M]+ 329.16217142 184.5
[M]- 329.16326858 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.