CID 3074457

1-(3-(4-methoxyphenoxy)-3-phenylpropyl)pyrrolidine

Structural Information

Molecular Formula
C20H25NO2
SMILES
COC1=CC=C(C=C1)OC(CCN2CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C20H25NO2/c1-22-18-9-11-19(12-10-18)23-20(17-7-3-2-4-8-17)13-16-21-14-5-6-15-21/h2-4,7-12,20H,5-6,13-16H2,1H3
InChIKey
LEKZVDHWYMONGL-UHFFFAOYSA-N
Compound name
1-[3-(4-methoxyphenoxy)-3-phenylpropyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.18854 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 176.2
[M+Na]+ 334.17776 179.7
[M-H]- 310.18126 183.3
[M+NH4]+ 329.22236 190.2
[M+K]+ 350.15170 175.7
[M+H-H2O]+ 294.18580 166.3
[M+HCOO]- 356.18674 195.8
[M+CH3COO]- 370.20239 204.9
[M+Na-2H]- 332.16321 176.7
[M]+ 311.18799 175.5
[M]- 311.18909 175.5
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.