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-trimethyl-3-pyridinyl)-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]+ 246.123696 156.3
[M+Na]+ 268.105638 166.2
[M-H]- 244.109144 162.3
[M+NH4]+ 263.150243 171.9
[M+K]+ 284.079578 164.2
[M+H-H2O]+ 228.113680 148.3
[M+HCOO]- 290.114621 178.9
[M+CH3COO]- 304.130271 197.4
[M+Na-2H]- 266.091086 159.3
[M]+ 245.11587142 159.8
[M]- 245.11696858 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.