CID 6441882

Beta-benzalbutyrate diethylamide

Structural Information

Molecular Formula
C15H21NO
SMILES
CCN(CC)C(=O)C/C(=C/C1=CC=CC=C1)/C
InChI
InChI=1S/C15H21NO/c1-4-16(5-2)15(17)12-13(3)11-14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3/b13-11+
InChIKey
VSHBKFZWSYFCND-ACCUITESSA-N
Compound name
(E)-N,N-diethyl-3-methyl-4-phenylbut-3-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 157.5
[M+Na]+ 254.15153 168.1
[M+NH4]+ 249.19613 165.1
[M+K]+ 270.12547 161.4
[M-H]- 230.15503 159.8
[M+Na-2H]- 252.13698 163.2
[M]+ 231.16176 159.5
[M]- 231.16286 159.5
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

No patent data available for this compound.