CID 3073033

Brn 5815439

Structural Information

Molecular Formula
C9H8N4O2
SMILES
CC1=CC(=NO1)C(=O)NC2=NC=CC=N2
InChI
InChI=1S/C9H8N4O2/c1-6-5-7(13-15-6)8(14)12-9-10-3-2-4-11-9/h2-5H,1H3,(H,10,11,12,14)
InChIKey
NCJNQJRBCJQWPK-UHFFFAOYSA-N
Compound name
5-methyl-N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.06473 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07201 141.7
[M+Na]+ 227.05395 150.5
[M-H]- 203.05745 145.7
[M+NH4]+ 222.09855 156.6
[M+K]+ 243.02789 149.3
[M+H-H2O]+ 187.06199 132.6
[M+HCOO]- 249.06293 164.3
[M+CH3COO]- 263.07858 184.6
[M+Na-2H]- 225.03940 148.9
[M]+ 204.06418 143.0
[M]- 204.06528 143.0
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.