CID 91851

Gnf-pf-1227

Structural Information

Molecular Formula
C9H10N4O3
SMILES
CCOC(=O)C1=NC2=NC(=CC(=O)N2N1)C
InChI
InChI=1S/C9H10N4O3/c1-3-16-8(15)7-11-9-10-5(2)4-6(14)13(9)12-7/h4H,3H2,1-2H3,(H,10,11,12)
InChIKey
SJSCJJCPAPBJBE-UHFFFAOYSA-N
Compound name
ethyl 5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

222.07529 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08257 146.0
[M+Na]+ 245.06451 158.3
[M-H]- 221.06801 145.4
[M+NH4]+ 240.10911 161.7
[M+K]+ 261.03845 154.9
[M+H-H2O]+ 205.07255 138.1
[M+HCOO]- 267.07349 165.8
[M+CH3COO]- 281.08914 185.5
[M+Na-2H]- 243.04996 151.7
[M]+ 222.07474 150.4
[M]- 222.07584 150.4
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

No patent data available for this compound.