CID 129318457

Trihexyphenidyl n-oxide

Structural Information

Molecular Formula
C20H31NO2
SMILES
C1CCC(CC1)C(CC[N+]2(CCCCC2)[O-])(C3=CC=CC=C3)O
InChI
InChI=1S/C20H31NO2/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21(23)15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2
InChIKey
KXFSYXHEVRSHAS-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(1-oxidopiperidin-1-ium-1-yl)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.23547 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.24275 180.3
[M+Na]+ 340.22469 192.0
[M+NH4]+ 335.26929 190.3
[M+K]+ 356.19863 184.2
[M-H]- 316.22819 186.1
[M+Na-2H]- 338.21014 188.6
[M]+ 317.23492 183.7
[M]- 317.23602 183.7
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.