CID 6917663

Picenadol

Structural Information

Molecular Formula
C16H25NO
SMILES
CCC[C@]1(CCN(C[C@H]1C)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C16H25NO/c1-4-8-16(9-10-17(3)12-13(16)2)14-6-5-7-15(18)11-14/h5-7,11,13,18H,4,8-10,12H2,1-3H3/t13-,16-/m1/s1
InChIKey
RTOHPIRUUAKHOZ-CZUORRHYSA-N
Compound name
3-[(3S,4R)-1,3-dimethyl-4-propylpiperidin-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

15
Patents

247.19362 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.20090 160.5
[M+Na]+ 270.18284 166.6
[M-H]- 246.18634 164.1
[M+NH4]+ 265.22744 178.2
[M+K]+ 286.15678 162.7
[M+H-H2O]+ 230.19088 153.3
[M+HCOO]- 292.19182 177.4
[M+CH3COO]- 306.20747 194.1
[M+Na-2H]- 268.16829 163.1
[M]+ 247.19307 157.6
[M]- 247.19417 157.6
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.