CID 3039656

50910-28-6

Structural Information

Molecular Formula
C22H29NO
SMILES
CC(C)(CN1CCCCC1)C(C2=CC=C(C=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C22H29NO/c1-22(2,17-23-15-7-4-8-16-23)21(24)20-13-11-19(12-14-20)18-9-5-3-6-10-18/h3,5-6,9-14,21,24H,4,7-8,15-17H2,1-2H3
InChIKey
YKGJHGRBXWPZLW-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.232176 181.2
[M+Na]+ 346.214118 182.9
[M-H]- 322.217624 186.2
[M+NH4]+ 341.258723 192.2
[M+K]+ 362.188058 177.6
[M+H-H2O]+ 306.222160 171.4
[M+HCOO]- 368.223101 194.5
[M+CH3COO]- 382.238751 207.4
[M+Na-2H]- 344.199566 182.8
[M]+ 323.22435142 175.2
[M]- 323.22544858 175.2
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.