CID 3073032

Brn 5818953

Structural Information

Molecular Formula
C13H15N3O2
SMILES
CC1=CC(=NC(=C1NC(=O)C2=NOC(=C2)C)C)C
InChI
InChI=1S/C13H15N3O2/c1-7-5-8(2)14-10(4)12(7)15-13(17)11-6-9(3)18-16-11/h5-6H,1-4H3,(H,15,17)
InChIKey
MTBTZNRGAVUZMK-UHFFFAOYSA-N
Compound name
5-methyl-N-(2,4,6-trimethylpyridin-3-yl)-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.11642 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 156.3
[M+Na]+ 268.10564 166.2
[M-H]- 244.10914 162.3
[M+NH4]+ 263.15024 171.9
[M+K]+ 284.07958 164.2
[M+H-H2O]+ 228.11368 148.3
[M+HCOO]- 290.11462 178.9
[M+CH3COO]- 304.13027 197.4
[M+Na-2H]- 266.09109 159.3
[M]+ 245.11587 159.8
[M]- 245.11697 159.8
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.