CID 129318568

Alverine ep impurity d hcl

Structural Information

Molecular Formula
C20H33N
SMILES
CCN(CCCC1CCCCC1)CCCC2=CC=CC=C2
InChI
InChI=1S/C20H33N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3,5-6,11-12,20H,2,4,7-10,13-18H2,1H3
InChIKey
RYQKTFGPWHFJER-UHFFFAOYSA-N
Compound name
3-cyclohexyl-N-ethyl-N-(3-phenylpropyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.2613 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.26858 175.4
[M+Na]+ 310.25052 175.4
[M-H]- 286.25402 180.6
[M+NH4]+ 305.29512 190.6
[M+K]+ 326.22446 172.0
[M+H-H2O]+ 270.25856 166.2
[M+HCOO]- 332.25950 194.8
[M+CH3COO]- 346.27515 209.4
[M+Na-2H]- 308.23597 176.6
[M]+ 287.26075 172.7
[M]- 287.26185 172.7
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.