CID 3061848

79820-11-4

Structural Information

Molecular Formula
C22H27NO
SMILES
C=CCN1CCCC1C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O
InChI
InChI=1S/C22H27NO/c1-2-15-23-16-9-14-21(23)22(24,17-19-10-5-3-6-11-19)18-20-12-7-4-8-13-20/h2-8,10-13,21,24H,1,9,14-18H2
InChIKey
LYXKFLQGJBCPHL-UHFFFAOYSA-N
Compound name
1,3-diphenyl-2-(1-prop-2-enylpyrrolidin-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.20926 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21654 182.6
[M+Na]+ 344.19848 194.8
[M+NH4]+ 339.24308 190.4
[M+K]+ 360.17242 187.9
[M-H]- 320.20198 187.3
[M+Na-2H]- 342.18393 190.8
[M]+ 321.20871 185.7
[M]- 321.20981 185.7
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.