CID 56782

94576-80-4

Structural Information

Molecular Formula
C20H23NO3
SMILES
C1CCN(C1)CC(C2=CC=CC=C2)OC(=O)COC3=CC=CC=C3
InChI
InChI=1S/C20H23NO3/c22-20(16-23-18-11-5-2-6-12-18)24-19(15-21-13-7-8-14-21)17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2
InChIKey
GSZSLBDNOSALRF-UHFFFAOYSA-N
Compound name
(1-phenyl-2-pyrrolidin-1-ylethyl) 2-phenoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 179.6
[M+Na]+ 348.15702 191.1
[M+NH4]+ 343.20162 187.0
[M+K]+ 364.13096 185.6
[M-H]- 324.16052 184.0
[M+Na-2H]- 346.14247 187.6
[M]+ 325.16725 182.3
[M]- 325.16835 182.3
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.