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]+ 382.23768 195.1
[M+Na]+ 404.21962 195.2
[M-H]- 380.22312 202.8
[M+NH4]+ 399.26422 206.8
[M+K]+ 420.19356 191.8
[M+H-H2O]+ 364.22766 185.8
[M+HCOO]- 426.22860 213.5
[M+CH3COO]- 440.24425 219.8
[M+Na-2H]- 402.20507 194.8
[M]+ 381.22985 193.9
[M]- 381.23095 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.