CID 3083934

Piperphenidol hydrochloride

Structural Information

Molecular Formula
C18H29NO
SMILES
CC(C)C(C1=CC=CC=C1)C(CCN2CCCCC2)O
InChI
InChI=1S/C18H29NO/c1-15(2)18(16-9-5-3-6-10-16)17(20)11-14-19-12-7-4-8-13-19/h3,5-6,9-10,15,17-18,20H,4,7-8,11-14H2,1-2H3
InChIKey
KJCWLPLAURMCOC-UHFFFAOYSA-N
Compound name
5-methyl-4-phenyl-1-piperidin-1-ylhexan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

275.2249 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.232176 171.0
[M+Na]+ 298.214118 171.3
[M-H]- 274.217624 172.6
[M+NH4]+ 293.258723 184.0
[M+K]+ 314.188058 168.1
[M+H-H2O]+ 258.222160 162.3
[M+HCOO]- 320.223101 184.0
[M+CH3COO]- 334.238751 199.7
[M+Na-2H]- 296.199566 169.8
[M]+ 275.22435142 165.3
[M]- 275.22544858 165.3
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

patents stripe