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]+ 261.09822 157.5
[M+Na]+ 283.08016 167.0
[M-H]- 259.08366 160.6
[M+NH4]+ 278.12476 169.6
[M+K]+ 299.05410 163.4
[M+H-H2O]+ 243.08820 147.8
[M+HCOO]- 305.08914 178.9
[M+CH3COO]- 319.10479 197.0
[M+Na-2H]- 281.06561 162.8
[M]+ 260.09039 159.0
[M]- 260.09149 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.