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 178.7
[M+Na]+ 348.15702 181.1
[M-H]- 324.16052 185.6
[M+NH4]+ 343.20162 191.7
[M+K]+ 364.13096 177.8
[M+H-H2O]+ 308.16506 168.7
[M+HCOO]- 370.16600 197.7
[M+CH3COO]- 384.18165 205.3
[M+Na-2H]- 346.14247 178.8
[M]+ 325.16725 177.7
[M]- 325.16835 177.7
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.