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]+ 342.169996 181.1
[M+Na]+ 364.151938 185.5
[M-H]- 340.155444 188.7
[M+NH4]+ 359.196543 194.1
[M+K]+ 380.125878 182.4
[M+H-H2O]+ 324.159980 171.3
[M+HCOO]- 386.160921 201.3
[M+CH3COO]- 400.176571 208.8
[M+Na-2H]- 362.137386 181.2
[M]+ 341.16217142 183.0
[M]- 341.16326858 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.