CID 3051140

N-ethyl-n-(4-hydroxybutyl)phenethylamine p-aminobenzoate

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CCN(CCCCOC(=O)C1=CC=C(C=C1)N)CCC2=CC=CC=C2
InChI
InChI=1S/C21H28N2O2/c1-2-23(16-14-18-8-4-3-5-9-18)15-6-7-17-25-21(24)19-10-12-20(22)13-11-19/h3-5,8-13H,2,6-7,14-17,22H2,1H3
InChIKey
QWEATCGKAQFKPB-UHFFFAOYSA-N
Compound name
4-[ethyl(2-phenylethyl)amino]butyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.2151 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.222376 186.2
[M+Na]+ 363.204318 188.9
[M-H]- 339.207824 192.4
[M+NH4]+ 358.248923 198.9
[M+K]+ 379.178258 185.4
[M+H-H2O]+ 323.212360 176.4
[M+HCOO]- 385.213301 209.7
[M+CH3COO]- 399.228951 220.2
[M+Na-2H]- 361.189766 187.4
[M]+ 340.21455142 188.3
[M]- 340.21564858 188.3
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.