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]+ 248.077816 153.6
[M+Na]+ 270.059758 165.3
[M-H]- 246.063264 155.0
[M+NH4]+ 265.104363 164.7
[M+K]+ 286.033698 159.4
[M+H-H2O]+ 230.067800 144.0
[M+HCOO]- 292.068741 174.5
[M+CH3COO]- 306.084391 191.3
[M+Na-2H]- 268.045206 160.7
[M]+ 247.06999142 153.5
[M]- 247.07108858 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.