CID 41313

55066-60-9

Structural Information

Molecular Formula
C21H25NO3
SMILES
C1CCN(C1)CCCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H25NO3/c23-20(25-17-9-16-22-14-7-8-15-22)21(24,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-6,10-13,24H,7-9,14-17H2
InChIKey
REGRSXMQFYGPES-UHFFFAOYSA-N
Compound name
3-pyrrolidin-1-ylpropyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.18344 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.190716 182.8
[M+Na]+ 362.172658 185.1
[M-H]- 338.176164 188.4
[M+NH4]+ 357.217263 194.7
[M+K]+ 378.146598 180.7
[M+H-H2O]+ 322.180700 173.5
[M+HCOO]- 384.181641 199.4
[M+CH3COO]- 398.197291 205.3
[M+Na-2H]- 360.158106 184.2
[M]+ 339.18289142 180.5
[M]- 339.18398858 180.5
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.