CID 30635

Diphenylacetic acid 2-(cyclopentylpropylamino)ethyl ester

Structural Information

Molecular Formula
C24H31NO2
SMILES
CCCN(CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3CCCC3
InChI
InChI=1S/C24H31NO2/c1-2-17-25(22-15-9-10-16-22)18-19-27-24(26)23(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,22-23H,2,9-10,15-19H2,1H3
InChIKey
LPWBACNGAOLPSB-UHFFFAOYSA-N
Compound name
2-[cyclopentyl(propyl)amino]ethyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.23547 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.24275 194.1
[M+Na]+ 388.22469 204.3
[M+NH4]+ 383.26929 201.9
[M+K]+ 404.19863 198.0
[M-H]- 364.22819 200.2
[M+Na-2H]- 386.21014 201.8
[M]+ 365.23492 197.2
[M]- 365.23602 197.2
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.