CID 16154

1-ethyl-2-pyrrolidinylmethyl-alpha-phenylcyclopentylglycolate, 1-ethyl-3-piperidyl-alpha-phenylcyclopentylglycolate drug combination

Structural Information

Molecular Formula
C20H29NO3
SMILES
CCN1CCCC1COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H29NO3/c1-2-21-14-8-13-18(21)15-24-19(22)20(23,17-11-6-7-12-17)16-9-4-3-5-10-16/h3-5,9-10,17-18,23H,2,6-8,11-15H2,1H3
InChIKey
QQJCHGFBFHJEGB-UHFFFAOYSA-N
Compound name
(1-ethylpyrrolidin-2-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

4
Patents

331.21475 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.222026 182.9
[M+Na]+ 354.203968 184.4
[M-H]- 330.207474 188.6
[M+NH4]+ 349.248573 197.3
[M+K]+ 370.177908 181.1
[M+H-H2O]+ 314.212010 175.1
[M+HCOO]- 376.212951 197.9
[M+CH3COO]- 390.228601 204.3
[M+Na-2H]- 352.189416 179.8
[M]+ 331.21420142 178.9
[M]- 331.21529858 178.9
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

patents stripe