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 177.0
[M+Na]+ 332.19848 178.5
[M-H]- 308.20198 182.0
[M+NH4]+ 327.24308 188.4
[M+K]+ 348.17242 173.4
[M+H-H2O]+ 292.20652 167.0
[M+HCOO]- 354.20746 191.3
[M+CH3COO]- 368.22311 185.0
[M+Na-2H]- 330.18393 177.2
[M]+ 309.20871 170.6
[M]- 309.20981 170.6
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.