CID 210632

2-(cyclopentylpropylamino)ethyl benzilate

Structural Information

Molecular Formula
C24H31NO3
SMILES
CCCN(CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)C3CCCC3
InChI
InChI=1S/C24H31NO3/c1-2-17-25(22-15-9-10-16-22)18-19-28-23(26)24(27,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,22,27H,2,9-10,15-19H2,1H3
InChIKey
RBZZIBNDMAYGEU-UHFFFAOYSA-N
Compound name
2-[cyclopentyl(propyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.2304 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.237676 195.1
[M+Na]+ 404.219618 195.2
[M-H]- 380.223124 202.8
[M+NH4]+ 399.264223 206.8
[M+K]+ 420.193558 191.8
[M+H-H2O]+ 364.227660 185.8
[M+HCOO]- 426.228601 213.5
[M+CH3COO]- 440.244251 219.8
[M+Na-2H]- 402.205066 194.8
[M]+ 381.22985142 193.9
[M]- 381.23094858 193.9
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.