CID 3042295

1-piperidinepropanol, alpha-(4-biphenylyl)-beta-methyl-, hydrochloride, erythro-

Structural Information

Molecular Formula
C21H27NO
SMILES
C[C@H](CN1CCCCC1)[C@H](C2=CC=C(C=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C21H27NO/c1-17(16-22-14-6-3-7-15-22)21(23)20-12-10-19(11-13-20)18-8-4-2-5-9-18/h2,4-5,8-13,17,21,23H,3,6-7,14-16H2,1H3/t17-,21-/m1/s1
InChIKey
BBCRBDSGKLSITC-DYESRHJHSA-N
Compound name
(1R,2R)-2-methyl-1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 178.7
[M+Na]+ 332.19848 191.9
[M+NH4]+ 327.24308 187.3
[M+K]+ 348.17242 183.4
[M-H]- 308.20198 184.7
[M+Na-2H]- 330.18393 187.6
[M]+ 309.20871 182.3
[M]- 309.20981 182.3
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.