CID 161078

Triperiden free base

Structural Information

Molecular Formula
C21H29NO
SMILES
C1CCN(CC1)CCC(C2C3CC4C2C4C3)(C5=CC=CC=C5)O
InChI
InChI=1S/C21H29NO/c23-21(16-7-3-1-4-8-16,9-12-22-10-5-2-6-11-22)20-15-13-17-18(14-15)19(17)20/h1,3-4,7-8,15,17-20,23H,2,5-6,9-14H2
InChIKey
VZBIEBUSGOHPRM-UHFFFAOYSA-N
Compound name
1-phenyl-3-piperidin-1-yl-1-(3-tricyclo[2.2.1.02,6]heptanyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

37
Patents

311.2249 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.23218 164.4
[M+Na]+ 334.21412 168.8
[M-H]- 310.21762 168.7
[M+NH4]+ 329.25872 181.3
[M+K]+ 350.18806 162.7
[M+H-H2O]+ 294.22216 159.7
[M+HCOO]- 356.22310 174.3
[M+CH3COO]- 370.23875 173.3
[M+Na-2H]- 332.19957 165.8
[M]+ 311.22435 167.0
[M]- 311.22545 167.0
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.