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]+ 276.23218 171.0
[M+Na]+ 298.21412 171.3
[M-H]- 274.21762 172.6
[M+NH4]+ 293.25872 184.0
[M+K]+ 314.18806 168.1
[M+H-H2O]+ 258.22216 162.3
[M+HCOO]- 320.22310 184.0
[M+CH3COO]- 334.23875 199.7
[M+Na-2H]- 296.19957 169.8
[M]+ 275.22435 165.3
[M]- 275.22545 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

No patent data available for this compound.