CID 3051497

67466-06-2

Structural Information

Molecular Formula
C19H23NO2
SMILES
CN(C)CC(C1=CC=CC=C1)OC(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C19H23NO2/c1-20(2)15-18(17-11-7-4-8-12-17)22-19(21)14-13-16-9-5-3-6-10-16/h3-12,18H,13-15H2,1-2H3
InChIKey
LQTRKHHHCNJRLT-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)-1-phenylethyl] 3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.180156 173.6
[M+Na]+ 320.162098 176.8
[M-H]- 296.165604 180.4
[M+NH4]+ 315.206703 188.3
[M+K]+ 336.136038 174.6
[M+H-H2O]+ 280.170140 164.5
[M+HCOO]- 342.171081 196.3
[M+CH3COO]- 356.186731 209.5
[M+Na-2H]- 318.147546 176.0
[M]+ 297.17233142 175.6
[M]- 297.17342858 175.6
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.