CID 58773

101710-76-3

Structural Information

Molecular Formula
C24H29NO3
SMILES
C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CCN(C3)CC4=CC=CC=C4)O
InChI
InChI=1S/C24H29NO3/c26-23(24(27,21-13-7-8-14-21)20-11-5-2-6-12-20)28-22-15-16-25(18-22)17-19-9-3-1-4-10-19/h1-6,9-12,21-22,27H,7-8,13-18H2
InChIKey
WVTNQLYDZSNBLZ-UHFFFAOYSA-N
Compound name
(1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

379.21475 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.222026 192.6
[M+Na]+ 402.203968 193.4
[M-H]- 378.207474 201.3
[M+NH4]+ 397.248573 204.3
[M+K]+ 418.177908 189.0
[M+H-H2O]+ 362.212010 183.5
[M+HCOO]- 424.212951 207.4
[M+CH3COO]- 438.228601 212.2
[M+Na-2H]- 400.189416 189.4
[M]+ 379.21420142 187.2
[M]- 379.21529858 187.2
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