CID 3024440

Brn 0033939

Structural Information

Molecular Formula
C21H27NO
SMILES
CC1CN(CCC1(C2=CC=CC=C2C)O)CCC3=CC=CC=C3
InChI
InChI=1S/C21H27NO/c1-17-8-6-7-11-20(17)21(23)13-15-22(16-18(21)2)14-12-19-9-4-3-5-10-19/h3-11,18,23H,12-16H2,1-2H3
InChIKey
CNVZBXCRHJEDMR-UHFFFAOYSA-N
Compound name
3-methyl-4-(2-methylphenyl)-1-(2-phenylethyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 177.7
[M+Na]+ 332.19848 182.9
[M-H]- 308.20198 183.9
[M+NH4]+ 327.24308 192.1
[M+K]+ 348.17242 177.1
[M+H-H2O]+ 292.20652 168.1
[M+HCOO]- 354.20746 194.1
[M+CH3COO]- 368.22311 187.1
[M+Na-2H]- 330.18393 179.8
[M]+ 309.20871 173.7
[M]- 309.20981 173.7
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.