CID 3033179

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

Structural Information

Molecular Formula
C15H19NO
SMILES
CC1=CC=C(C=C1)/C(=C(\C)/C(=O)NCC=C)/C
InChI
InChI=1S/C15H19NO/c1-5-10-16-15(17)13(4)12(3)14-8-6-11(2)7-9-14/h5-9H,1,10H2,2-4H3,(H,16,17)/b13-12+
InChIKey
USSPLFGFHXEMPX-OUKQBFOZSA-N
Compound name
(E)-2-methyl-3-(4-methylphenyl)-N-prop-2-enylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

229.14667 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.15395 155.7
[M+Na]+ 252.13589 160.9
[M-H]- 228.13939 158.9
[M+NH4]+ 247.18049 173.4
[M+K]+ 268.10983 157.6
[M+H-H2O]+ 212.14393 149.3
[M+HCOO]- 274.14487 177.1
[M+CH3COO]- 288.16052 196.1
[M+Na-2H]- 250.12134 156.6
[M]+ 229.14612 154.7
[M]- 229.14722 154.7
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.