CID 3074458

1-(3-(3,4-dimethoxyphenoxy)-3-phenylpropyl)pyrrolidine

Structural Information

Molecular Formula
C21H27NO3
SMILES
COC1=C(C=C(C=C1)OC(CCN2CCCC2)C3=CC=CC=C3)OC
InChI
InChI=1S/C21H27NO3/c1-23-20-11-10-18(16-21(20)24-2)25-19(17-8-4-3-5-9-17)12-15-22-13-6-7-14-22/h3-5,8-11,16,19H,6-7,12-15H2,1-2H3
InChIKey
VSFFWABTLBPRRX-UHFFFAOYSA-N
Compound name
1-[3-(3,4-dimethoxyphenoxy)-3-phenylpropyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1991 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20638 184.6
[M+Na]+ 364.18832 196.9
[M+NH4]+ 359.23292 192.2
[M+K]+ 380.16226 190.9
[M-H]- 340.19182 189.6
[M+Na-2H]- 362.17377 192.3
[M]+ 341.19855 187.7
[M]- 341.19965 187.7
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.