CID 5381273

Pyrimido[5,4-e][1,2,4]triazine-5,7(6h,8h)-dione

Structural Information

Molecular Formula
C5H3N5O2
SMILES
C1=NC2=C(NC(=O)NC2=O)N=N1
InChI
InChI=1S/C5H3N5O2/c11-4-2-3(8-5(12)9-4)10-7-1-6-2/h1H,(H2,8,9,10,11,12)
InChIKey
IDJLTUNWTSUIHO-UHFFFAOYSA-N
Compound name
8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

38
Patents

165.02867 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.03595 132.6
[M+Na]+ 188.01789 144.9
[M-H]- 164.02139 128.7
[M+NH4]+ 183.06249 146.2
[M+K]+ 203.99183 139.7
[M+H-H2O]+ 148.02593 124.3
[M+HCOO]- 210.02687 149.2
[M+CH3COO]- 224.04252 144.5
[M+Na-2H]- 186.00334 143.4
[M]+ 165.02812 130.9
[M]- 165.02922 130.9
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

patents stripe