CID 54616

80761-64-4

Structural Information

Molecular Formula
C11H8N8O3
SMILES
C1=CN=CC=C1C(=O)NNN2C=NC3=NC(=O)NC(=O)C3=N2
InChI
InChI=1S/C11H8N8O3/c20-9(6-1-3-12-4-2-6)16-18-19-5-13-8-7(17-19)10(21)15-11(22)14-8/h1-5,18H,(H,16,20)(H,15,21,22)
InChIKey
KJHICRKUUJBUJS-UHFFFAOYSA-N
Compound name
N'-(6,8-dioxopyrimido[4,5-e][1,2,4]triazin-2-yl)pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.07193 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07921 166.0
[M+Na]+ 323.06115 176.2
[M-H]- 299.06465 165.7
[M+NH4]+ 318.10575 172.2
[M+K]+ 339.03509 169.7
[M+H-H2O]+ 283.06919 154.7
[M+HCOO]- 345.07013 183.4
[M+CH3COO]- 359.08578 175.1
[M+Na-2H]- 321.04660 176.8
[M]+ 300.07138 165.2
[M]- 300.07248 165.2
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.