CID 206071

1-(3-phenoxy-3-phenylpropyl)pyrrolidine

Structural Information

Molecular Formula
C19H23NO
SMILES
C1CCN(C1)CCC(C2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C19H23NO/c1-3-9-17(10-4-1)19(13-16-20-14-7-8-15-20)21-18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2
InChIKey
QFAQNOUMEXHBQF-UHFFFAOYSA-N
Compound name
1-(3-phenoxy-3-phenylpropyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17798 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18526 170.3
[M+Na]+ 304.16720 183.3
[M+NH4]+ 299.21180 179.4
[M+K]+ 320.14114 176.2
[M-H]- 280.17070 176.2
[M+Na-2H]- 302.15265 179.9
[M]+ 281.17743 173.9
[M]- 281.17853 173.9
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.