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]+ 312.232176 164.4
[M+Na]+ 334.214118 168.8
[M-H]- 310.217624 168.7
[M+NH4]+ 329.258723 181.3
[M+K]+ 350.188058 162.7
[M+H-H2O]+ 294.222160 159.7
[M+HCOO]- 356.223101 174.3
[M+CH3COO]- 370.238751 173.3
[M+Na-2H]- 332.199566 165.8
[M]+ 311.22435142 167.0
[M]- 311.22544858 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

literature stripe

Patent stripe

patents stripe