CID 6448711

2-propenamide, n-(2,6-dimethylphenyl)-3-(5-methyl-3-isoxazolyl)-

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)/C=C/C2=NOC(=C2)C
InChI
InChI=1S/C15H16N2O2/c1-10-5-4-6-11(2)15(10)16-14(18)8-7-13-9-12(3)19-17-13/h4-9H,1-3H3,(H,16,18)/b8-7+
InChIKey
JRKDJBHKCLNIEC-BQYQJAHWSA-N
Compound name
(E)-N-(2,6-dimethylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1212 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.128476 160.1
[M+Na]+ 279.110418 168.6
[M-H]- 255.113924 166.8
[M+NH4]+ 274.155023 176.3
[M+K]+ 295.084358 165.7
[M+H-H2O]+ 239.118460 152.5
[M+HCOO]- 301.119401 183.6
[M+CH3COO]- 315.135051 197.9
[M+Na-2H]- 277.095866 162.9
[M]+ 256.12065142 162.6
[M]- 256.12174858 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.