CID 5572

Trihexyphenidyl

Structural Information

Molecular Formula
C20H31NO
SMILES
C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2
InChIKey
HWHLPVGTWGOCJO-UHFFFAOYSA-N
Compound name
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1206
References

24919
Patents

301.24057 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.24785 176.3
[M+Na]+ 324.22979 175.1
[M-H]- 300.23329 180.0
[M+NH4]+ 319.27439 187.6
[M+K]+ 340.20373 170.3
[M+H-H2O]+ 284.23783 166.5
[M+HCOO]- 346.23877 187.0
[M+CH3COO]- 360.25442 200.6
[M+Na-2H]- 322.21524 177.7
[M]+ 301.24002 165.6
[M]- 301.24112 165.6
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.