CID 3073031

Brn 5816913

Structural Information

Molecular Formula
C12H13N3O2
SMILES
CC1=CC(=NO1)C(=O)NC2=C(C=NC=C2C)C
InChI
InChI=1S/C12H13N3O2/c1-7-5-13-6-8(2)11(7)14-12(16)10-4-9(3)17-15-10/h4-6H,1-3H3,(H,13,14,16)
InChIKey
HKGKMIOANKLVFC-UHFFFAOYSA-N
Compound name
N-(3,5-dimethylpyridin-4-yl)-5-methyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10077 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 151.6
[M+Na]+ 254.08999 161.0
[M-H]- 230.09349 157.3
[M+NH4]+ 249.13459 167.4
[M+K]+ 270.06393 159.2
[M+H-H2O]+ 214.09803 143.5
[M+HCOO]- 276.09897 174.5
[M+CH3COO]- 290.11462 193.1
[M+Na-2H]- 252.07544 155.9
[M]+ 231.10022 154.3
[M]- 231.10132 154.3
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.