CID 3064289

Piperidine, 1-(2-((cyclohexylmethyl)piperonylamino)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C22H34N2O2
SMILES
C1CCC(CC1)CN(CCN2CCCCC2)CC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C22H34N2O2/c1-3-7-19(8-4-1)16-24(14-13-23-11-5-2-6-12-23)17-20-9-10-21-22(15-20)26-18-25-21/h9-10,15,19H,1-8,11-14,16-18H2
InChIKey
OPABDVFTRWBGFL-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-ylmethyl)-N-(cyclohexylmethyl)-2-piperidin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.26202 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.26930 188.7
[M+Na]+ 381.25124 187.4
[M-H]- 357.25474 196.9
[M+NH4]+ 376.29584 198.8
[M+K]+ 397.22518 185.9
[M+H-H2O]+ 341.25928 178.2
[M+HCOO]- 403.26022 200.7
[M+CH3COO]- 417.27587 195.7
[M+Na-2H]- 379.23669 187.9
[M]+ 358.26147 182.5
[M]- 358.26257 182.5
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.