CID 3033177

2-butenamide, 3-(4-chlorophenyl)-2-methyl-n-2-propenyl-, (e)-

Structural Information

Molecular Formula
C14H16ClNO
SMILES
C/C(=C(/C)\C(=O)NCC=C)/C1=CC=C(C=C1)Cl
InChI
InChI=1S/C14H16ClNO/c1-4-9-16-14(17)11(3)10(2)12-5-7-13(15)8-6-12/h4-8H,1,9H2,2-3H3,(H,16,17)/b11-10+
InChIKey
FNXMXVMYHCIAGR-ZHACJKMWSA-N
Compound name
(E)-3-(4-chlorophenyl)-2-methyl-N-prop-2-enylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

249.09204 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09932 157.9
[M+Na]+ 272.08126 169.5
[M+NH4]+ 267.12586 165.4
[M+K]+ 288.05520 162.6
[M-H]- 248.08476 159.6
[M+Na-2H]- 270.06671 163.1
[M]+ 249.09149 160.1
[M]- 249.09259 160.1
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.