CID 210631

2-(cyclopentylethylamino)ethyl benzilate

Structural Information

Molecular Formula
C23H29NO3
SMILES
CCN(CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)C3CCCC3
InChI
InChI=1S/C23H29NO3/c1-2-24(21-15-9-10-16-21)17-18-27-22(25)23(26,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,21,26H,2,9-10,15-18H2,1H3
InChIKey
RAUDLHKOCJXRDT-UHFFFAOYSA-N
Compound name
2-[cyclopentyl(ethyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21475 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.22203 190.6
[M+Na]+ 390.20397 191.2
[M-H]- 366.20747 198.6
[M+NH4]+ 385.24857 203.0
[M+K]+ 406.17791 188.0
[M+H-H2O]+ 350.21201 181.5
[M+HCOO]- 412.21295 209.4
[M+CH3COO]- 426.22860 216.9
[M+Na-2H]- 388.18942 190.9
[M]+ 367.21420 189.1
[M]- 367.21530 189.1
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.