CID 58777

101710-78-5

Structural Information

Molecular Formula
C23H33NO3
SMILES
C1CCC(CC1)N2CCC(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O
InChI
InChI=1S/C23H33NO3/c25-22(27-21-15-16-24(17-21)20-13-5-2-6-14-20)23(26,19-11-7-8-12-19)18-9-3-1-4-10-18/h1,3-4,9-10,19-21,26H,2,5-8,11-17H2
InChIKey
BMASITBHRAABSM-UHFFFAOYSA-N
Compound name
(1-cyclohexylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.24603 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.25331 192.0
[M+Na]+ 394.23525 190.2
[M-H]- 370.23875 199.6
[M+NH4]+ 389.27985 203.8
[M+K]+ 410.20919 186.5
[M+H-H2O]+ 354.24329 183.0
[M+HCOO]- 416.24423 202.8
[M+CH3COO]- 430.25988 210.5
[M+Na-2H]- 392.22070 186.4
[M]+ 371.24548 182.1
[M]- 371.24658 182.1
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.