CID 3059657

4-piperidinol, 2,3-dimethyl-4-phenyl-1-(3-phenylpropyl)-

Structural Information

Molecular Formula
C22H29NO
SMILES
CC1C(N(CCC1(C2=CC=CC=C2)O)CCCC3=CC=CC=C3)C
InChI
InChI=1S/C22H29NO/c1-18-19(2)23(16-9-12-20-10-5-3-6-11-20)17-15-22(18,24)21-13-7-4-8-14-21/h3-8,10-11,13-14,18-19,24H,9,12,15-17H2,1-2H3
InChIKey
SXZBWQMCWRTYIT-UHFFFAOYSA-N
Compound name
2,3-dimethyl-4-phenyl-1-(3-phenylpropyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.232176 182.1
[M+Na]+ 346.214118 186.8
[M-H]- 322.217624 188.1
[M+NH4]+ 341.258723 195.9
[M+K]+ 362.188058 180.8
[M+H-H2O]+ 306.222160 172.3
[M+HCOO]- 368.223101 198.2
[M+CH3COO]- 382.238751 207.9
[M+Na-2H]- 344.199566 183.6
[M]+ 323.22435142 178.4
[M]- 323.22544858 178.4
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.