CID 621302

127720-99-4

Structural Information

Molecular Formula
C12H12N4O3
SMILES
CCOC(=O)C1=NN(C(=O)C(=N1)N)C2=CC=CC=C2
InChI
InChI=1S/C12H12N4O3/c1-2-19-12(18)10-14-9(13)11(17)16(15-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,13,14,15)
InChIKey
ONJVQULAOHSFPB-UHFFFAOYSA-N
Compound name
ethyl 5-amino-6-oxo-1-phenyl-1,2,4-triazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

260.09094 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.098216 157.5
[M+Na]+ 283.080158 167.0
[M-H]- 259.083664 160.6
[M+NH4]+ 278.124763 169.6
[M+K]+ 299.054098 163.4
[M+H-H2O]+ 243.088200 147.8
[M+HCOO]- 305.089141 178.9
[M+CH3COO]- 319.104791 197.0
[M+Na-2H]- 281.065606 162.8
[M]+ 260.09039142 159.0
[M]- 260.09148858 159.0
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.