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]+ 340.19072 182.8
[M+Na]+ 362.17266 185.1
[M-H]- 338.17616 188.4
[M+NH4]+ 357.21726 194.7
[M+K]+ 378.14660 180.7
[M+H-H2O]+ 322.18070 173.5
[M+HCOO]- 384.18164 199.4
[M+CH3COO]- 398.19729 205.3
[M+Na-2H]- 360.15811 184.2
[M]+ 339.18289 180.5
[M]- 339.18399 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.