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 157.5
[M+Na]+ 272.08126 164.0
[M-H]- 248.08476 160.8
[M+NH4]+ 267.12586 175.4
[M+K]+ 288.05520 158.9
[M+H-H2O]+ 232.08930 152.2
[M+HCOO]- 294.09024 174.9
[M+CH3COO]- 308.10589 196.8
[M+Na-2H]- 270.06671 158.5
[M]+ 249.09149 158.3
[M]- 249.09259 158.3
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.