CID 3024441

Brn 0031436

Structural Information

Molecular Formula
C21H27NO
SMILES
CC1CN(CCC1(C2=CC=C(C=C2)C)O)CCC3=CC=CC=C3
InChI
InChI=1S/C21H27NO/c1-17-8-10-20(11-9-17)21(23)13-15-22(16-18(21)2)14-12-19-6-4-3-5-7-19/h3-11,18,23H,12-16H2,1-2H3
InChIKey
UVWWFZLMJRNIGG-UHFFFAOYSA-N
Compound name
3-methyl-4-(4-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 178.6
[M+Na]+ 332.19848 193.5
[M+NH4]+ 327.24308 188.9
[M+K]+ 348.17242 182.1
[M-H]- 308.20198 185.2
[M+Na-2H]- 330.18393 189.3
[M]+ 309.20871 183.0
[M]- 309.20981 183.0
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.