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]+ 322.216536 181.0
[M+Na]+ 344.198478 184.4
[M-H]- 320.201984 186.7
[M+NH4]+ 339.243083 194.2
[M+K]+ 360.172418 177.9
[M+H-H2O]+ 304.206520 171.9
[M+HCOO]- 366.207461 197.9
[M+CH3COO]- 380.223111 205.2
[M+Na-2H]- 342.183926 182.1
[M]+ 321.20871142 177.4
[M]- 321.20980858 177.4
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.