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]+ 366.242746 194.0
[M+Na]+ 388.224688 193.9
[M-H]- 364.228194 202.8
[M+NH4]+ 383.269293 206.9
[M+K]+ 404.198628 190.6
[M+H-H2O]+ 348.232730 183.9
[M+HCOO]- 410.233671 214.2
[M+CH3COO]- 424.249321 220.6
[M+Na-2H]- 386.210136 191.5
[M]+ 365.23492142 192.9
[M]- 365.23601858 192.9
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.