CID 48918

Benzoic acid, 2-(n-benzyl-n-methylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C17H19NO2
SMILES
CN(CCOC(=O)C1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C17H19NO2/c1-18(14-15-8-4-2-5-9-15)12-13-20-17(19)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3
InChIKey
LNFCVVWJVGIGMB-UHFFFAOYSA-N
Compound name
2-[benzyl(methyl)amino]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

269.14157 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 164.2
[M+Na]+ 292.13079 177.3
[M+NH4]+ 287.17539 172.6
[M+K]+ 308.10473 169.4
[M-H]- 268.13429 169.4
[M+Na-2H]- 290.11624 173.8
[M]+ 269.14102 167.6
[M]- 269.14212 167.6
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

patents stripe