CID 71336835

112896-07-8

Structural Information

Molecular Formula
C22H29NO2
SMILES
CC1=CC(=CC(=C1O)C)C2(CCN(CC2)C)C3=CC(=C(C(=C3)C)O)C
InChI
InChI=1S/C22H29NO2/c1-14-10-18(11-15(2)20(14)24)22(6-8-23(5)9-7-22)19-12-16(3)21(25)17(4)13-19/h10-13,24-25H,6-9H2,1-5H3
InChIKey
IFTATZKJPZSFJT-UHFFFAOYSA-N
Compound name
4-[4-(4-hydroxy-3,5-dimethylphenyl)-1-methylpiperidin-4-yl]-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

339.21982 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 184.3
[M+Na]+ 362.20904 192.2
[M-H]- 338.21254 190.6
[M+NH4]+ 357.25364 198.0
[M+K]+ 378.18298 186.5
[M+H-H2O]+ 322.21708 175.9
[M+HCOO]- 384.21802 199.0
[M+CH3COO]- 398.23367 212.7
[M+Na-2H]- 360.19449 182.9
[M]+ 339.21927 182.1
[M]- 339.22037 182.1
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

patents stripe