CID 56831

Benzoic acid, p-ethoxy-, 2-(benzylmethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C19H23NO3
SMILES
CCOC1=CC=C(C=C1)C(=O)OCCN(C)CC2=CC=CC=C2
InChI
InChI=1S/C19H23NO3/c1-3-22-18-11-9-17(10-12-18)19(21)23-14-13-20(2)15-16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3
InChIKey
FXPWUZCDDZVCMG-UHFFFAOYSA-N
Compound name
2-[benzyl(methyl)amino]ethyl 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.175076 176.2
[M+Na]+ 336.157018 180.5
[M-H]- 312.160524 183.4
[M+NH4]+ 331.201623 190.5
[M+K]+ 352.130958 178.5
[M+H-H2O]+ 296.165060 166.9
[M+HCOO]- 358.166001 200.1
[M+CH3COO]- 372.181651 211.8
[M+Na-2H]- 334.142466 179.1
[M]+ 313.16725142 180.7
[M]- 313.16834858 180.7
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.