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]+ 324.23218 181.2
[M+Na]+ 346.21412 182.9
[M-H]- 322.21762 186.2
[M+NH4]+ 341.25872 192.2
[M+K]+ 362.18806 177.6
[M+H-H2O]+ 306.22216 171.4
[M+HCOO]- 368.22310 194.5
[M+CH3COO]- 382.23875 207.4
[M+Na-2H]- 344.19957 182.8
[M]+ 323.22435 175.2
[M]- 323.22545 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.