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]+ 380.22203 192.6
[M+Na]+ 402.20397 193.4
[M-H]- 378.20747 201.3
[M+NH4]+ 397.24857 204.3
[M+K]+ 418.17791 189.0
[M+H-H2O]+ 362.21201 183.5
[M+HCOO]- 424.21295 207.4
[M+CH3COO]- 438.22860 212.2
[M+Na-2H]- 400.18942 189.4
[M]+ 379.21420 187.2
[M]- 379.21530 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