CID 3064291

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

Structural Information

Molecular Formula
C23H38N2O2
SMILES
COC1=C(C=C(C=C1)CN(CCN2CCCCC2)CC3CCCCC3)OC
InChI
InChI=1S/C23H38N2O2/c1-26-22-12-11-21(17-23(22)27-2)19-25(18-20-9-5-3-6-10-20)16-15-24-13-7-4-8-14-24/h11-12,17,20H,3-10,13-16,18-19H2,1-2H3
InChIKey
AUDKHJQENROBND-UHFFFAOYSA-N
Compound name
N-(cyclohexylmethyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-piperidin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.29333 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.30061 195.9
[M+Na]+ 397.28255 194.3
[M-H]- 373.28605 202.1
[M+NH4]+ 392.32715 205.6
[M+K]+ 413.25649 191.2
[M+H-H2O]+ 357.29059 184.1
[M+HCOO]- 419.29153 210.2
[M+CH3COO]- 433.30718 224.0
[M+Na-2H]- 395.26800 193.8
[M]+ 374.29278 191.2
[M]- 374.29388 191.2
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.