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 181.0
[M+Na]+ 344.19848 184.4
[M-H]- 320.20198 186.7
[M+NH4]+ 339.24308 194.2
[M+K]+ 360.17242 177.9
[M+H-H2O]+ 304.20652 171.9
[M+HCOO]- 366.20746 197.9
[M+CH3COO]- 380.22311 205.2
[M+Na-2H]- 342.18393 182.1
[M]+ 321.20871 177.4
[M]- 321.20981 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.