CID 21788

Dihexyverine

Structural Information

Molecular Formula
C20H35NO2
SMILES
C1CCC(CC1)C2(CCCCC2)C(=O)OCCN3CCCCC3
InChI
InChI=1S/C20H35NO2/c22-19(23-17-16-21-14-8-3-9-15-21)20(12-6-2-7-13-20)18-10-4-1-5-11-18/h18H,1-17H2
InChIKey
MNSQDVCVWNXBFQ-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

833
Patents

321.26678 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.27406 185.0
[M+Na]+ 344.25600 181.7
[M-H]- 320.25950 189.0
[M+NH4]+ 339.30060 197.7
[M+K]+ 360.22994 178.8
[M+H-H2O]+ 304.26404 174.5
[M+HCOO]- 366.26498 193.7
[M+CH3COO]- 380.28063 204.9
[M+Na-2H]- 342.24145 182.5
[M]+ 321.26623 172.5
[M]- 321.26733 172.5
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