CID 50819

P-aminobenzoic acid 2-(n-benzyl-n-methylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CN(CCOC(=O)C1=CC=C(C=C1)N)CC2=CC=CC=C2
InChI
InChI=1S/C17H20N2O2/c1-19(13-14-5-3-2-4-6-14)11-12-21-17(20)15-7-9-16(18)10-8-15/h2-10H,11-13,18H2,1H3
InChIKey
HICAFKKYHWJQRI-UHFFFAOYSA-N
Compound name
2-[benzyl(methyl)amino]ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.15247 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 168.5
[M+Na]+ 307.14169 180.3
[M+NH4]+ 302.18629 176.2
[M+K]+ 323.11563 173.3
[M-H]- 283.14519 173.7
[M+Na-2H]- 305.12714 176.9
[M]+ 284.15192 171.5
[M]- 284.15302 171.5
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.