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 183.6
[M+Na]+ 364.18832 187.4
[M-H]- 340.19182 190.9
[M+NH4]+ 359.23292 196.7
[M+K]+ 380.16226 183.9
[M+H-H2O]+ 324.19636 173.6
[M+HCOO]- 386.19730 203.1
[M+CH3COO]- 400.21295 211.0
[M+Na-2H]- 362.17377 183.0
[M]+ 341.19855 185.2
[M]- 341.19965 185.2
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.