CID 56831

P-ethoxybenzoic acid 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]+ 314.17508 175.9
[M+Na]+ 336.15702 188.4
[M+NH4]+ 331.20162 183.3
[M+K]+ 352.13096 180.8
[M-H]- 312.16052 180.5
[M+Na-2H]- 334.14247 184.2
[M]+ 313.16725 178.9
[M]- 313.16835 178.9
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.