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]+ 310.216536 177.0
[M+Na]+ 332.198478 178.5
[M-H]- 308.201984 182.0
[M+NH4]+ 327.243083 188.4
[M+K]+ 348.172418 173.4
[M+H-H2O]+ 292.206520 167.0
[M+HCOO]- 354.207461 191.3
[M+CH3COO]- 368.223111 185.0
[M+Na-2H]- 330.183926 177.2
[M]+ 309.20871142 170.6
[M]- 309.20980858 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.