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

26045
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

literature stripe

Patent stripe

patents stripe