CID 139596873

6-methyl-4-[(z)-(6-oxo-1h-pyridin-3-yl)methylideneamino]-2h-1,2,4-triazine-3,5-dione

Structural Information

Molecular Formula
C10H9N5O3
SMILES
CC1=NNC(=O)N(C1=O)/N=C\C2=CNC(=O)C=C2
InChI
InChI=1S/C10H9N5O3/c1-6-9(17)15(10(18)14-13-6)12-5-7-2-3-8(16)11-4-7/h2-5H,1H3,(H,11,16)(H,14,18)/b12-5-
InChIKey
QZMKZZHZOCGMLH-XGICHPGQSA-N
Compound name
6-methyl-4-[(Z)-(6-oxo-1H-pyridin-3-yl)methylideneamino]-2H-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

247.07054 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07782 153.6
[M+Na]+ 270.05976 165.3
[M-H]- 246.06326 155.0
[M+NH4]+ 265.10436 164.7
[M+K]+ 286.03370 159.4
[M+H-H2O]+ 230.06780 144.0
[M+HCOO]- 292.06874 174.5
[M+CH3COO]- 306.08439 191.3
[M+Na-2H]- 268.04521 160.7
[M]+ 247.06999 153.5
[M]- 247.07109 153.5
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.