CID 211402

23026-53-1

Structural Information

Molecular Formula
C20H23NO4
SMILES
COC1=CC=CC=C1OC2CCN(C2)CCOC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H23NO4/c1-23-18-9-5-6-10-19(18)25-17-11-12-21(15-17)13-14-24-20(22)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
InChIKey
XQHOHMPFPYJJOP-UHFFFAOYSA-N
Compound name
2-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16272 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 181.1
[M+Na]+ 364.15194 185.5
[M-H]- 340.15544 188.7
[M+NH4]+ 359.19654 194.1
[M+K]+ 380.12588 182.4
[M+H-H2O]+ 324.15998 171.3
[M+HCOO]- 386.16092 201.3
[M+CH3COO]- 400.17657 208.8
[M+Na-2H]- 362.13739 181.2
[M]+ 341.16217 183.0
[M]- 341.16327 183.0
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.