CID 6434774

N-((2-diethylamino)ethyl)-alpha-amyl cinnamamide

Structural Information

Molecular Formula
C20H32N2O
SMILES
CCCCC/C(=C\C1=CC=CC=C1)/C(=O)NCCN(CC)CC
InChI
InChI=1S/C20H32N2O/c1-4-7-9-14-19(17-18-12-10-8-11-13-18)20(23)21-15-16-22(5-2)6-3/h8,10-13,17H,4-7,9,14-16H2,1-3H3,(H,21,23)/b19-17+
InChIKey
UAIFZXAZKMISDC-HTXNQAPBSA-N
Compound name
(2E)-2-benzylidene-N-[2-(diethylamino)ethyl]heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.25146 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.25874 185.1
[M+Na]+ 339.24068 186.3
[M-H]- 315.24418 188.1
[M+NH4]+ 334.28528 199.3
[M+K]+ 355.21462 183.3
[M+H-H2O]+ 299.24872 176.4
[M+HCOO]- 361.24966 207.1
[M+CH3COO]- 375.26531 218.3
[M+Na-2H]- 337.22613 184.6
[M]+ 316.25091 187.3
[M]- 316.25201 187.3
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.