CID 120873

1976-56-3

Structural Information

Molecular Formula
C21H25NO
SMILES
C1CCN(CC1)CC(C=C(C2=CC=CC=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C21H25NO/c23-20(17-22-14-8-3-9-15-22)16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,16,20,23H,3,8-9,14-15,17H2
InChIKey
AESCKEAKQVXEOX-UHFFFAOYSA-N
Compound name
4,4-diphenyl-1-piperidin-1-ylbut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.200876 176.2
[M+Na]+ 330.182818 177.1
[M-H]- 306.186324 180.9
[M+NH4]+ 325.227423 187.3
[M+K]+ 346.156758 171.3
[M+H-H2O]+ 290.190860 166.1
[M+HCOO]- 352.191801 190.7
[M+CH3COO]- 366.207451 183.9
[M+Na-2H]- 328.168266 177.2
[M]+ 307.19305142 168.6
[M]- 307.19414858 168.6
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.