CID 3033120

2-butenamide, 2-methyl-3-phenyl-n-2-propenyl-, (e)-

Structural Information

Molecular Formula
C14H17NO
SMILES
C/C(=C(/C)\C(=O)NCC=C)/C1=CC=CC=C1
InChI
InChI=1S/C14H17NO/c1-4-10-15-14(16)12(3)11(2)13-8-6-5-7-9-13/h4-9H,1,10H2,2-3H3,(H,15,16)/b12-11+
InChIKey
GCLBGKOMNXDAFZ-VAWYXSNFSA-N
Compound name
(E)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

215.13101 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13829 152.7
[M+Na]+ 238.12023 163.1
[M+NH4]+ 233.16483 159.9
[M+K]+ 254.09417 156.8
[M-H]- 214.12373 154.3
[M+Na-2H]- 236.10568 158.0
[M]+ 215.13046 154.4
[M]- 215.13156 154.4
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.