CID 3051158

N-ethyl-n-(3-hydroxypentyl)phenethylamine p-aminobenzoate (ester)

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CCC(CCN(CC)CCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C22H30N2O2/c1-3-21(26-22(25)19-10-12-20(23)13-11-19)15-17-24(4-2)16-14-18-8-6-5-7-9-18/h5-13,21H,3-4,14-17,23H2,1-2H3
InChIKey
RRMATYZSIJXLKL-UHFFFAOYSA-N
Compound name
1-[ethyl(2-phenylethyl)amino]pentan-3-yl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.23074 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.23802 190.8
[M+Na]+ 377.21996 201.2
[M+NH4]+ 372.26456 197.4
[M+K]+ 393.19390 193.8
[M-H]- 353.22346 195.6
[M+Na-2H]- 375.20541 197.5
[M]+ 354.23019 193.4
[M]- 354.23129 193.4
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.