CID 48953

Benzoic acid, 2-(n-methyl-n-(3-phenylpropyl)amino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C19H23NO2
SMILES
CN(CCCC1=CC=CC=C1)CCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H23NO2/c1-20(14-8-11-17-9-4-2-5-10-17)15-16-22-19(21)18-12-6-3-7-13-18/h2-7,9-10,12-13H,8,11,14-16H2,1H3
InChIKey
NCLDEYBELIKICJ-UHFFFAOYSA-N
Compound name
2-[methyl(3-phenylpropyl)amino]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 173.3
[M+Na]+ 320.16210 185.9
[M+NH4]+ 315.20670 181.3
[M+K]+ 336.13604 177.6
[M-H]- 296.16560 178.4
[M+Na-2H]- 318.14755 182.3
[M]+ 297.17233 176.5
[M]- 297.17343 176.5
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.