CID 3076176

3-isoxazolecarboxamide, 5-methyl-n-(2,4,6-trimethylphenyl)-

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)C2=NOC(=C2)C)C
InChI
InChI=1S/C14H16N2O2/c1-8-5-9(2)13(10(3)6-8)15-14(17)12-7-11(4)18-16-12/h5-7H,1-4H3,(H,15,17)
InChIKey
WZFHIYUUCGUYAR-UHFFFAOYSA-N
Compound name
5-methyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

244.12119 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 156.5
[M+Na]+ 267.11041 169.5
[M+NH4]+ 262.15501 163.8
[M+K]+ 283.08435 165.6
[M-H]- 243.11391 161.1
[M+Na-2H]- 265.09586 162.7
[M]+ 244.12064 159.6
[M]- 244.12174 159.6
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

patents stripe