CID 139595978

5-hydroxy-6-methyl-4-[(z)-(6-oxo-1h-pyridin-3-yl)methylideneamino]-2,5-dihydro-1,2,4-triazin-3-one

Structural Information

Molecular Formula
C10H11N5O3
SMILES
CC1=NNC(=O)N(C1O)/N=C\C2=CNC(=O)C=C2
InChI
InChI=1S/C10H11N5O3/c1-6-9(17)15(10(18)14-13-6)12-5-7-2-3-8(16)11-4-7/h2-5,9,17H,1H3,(H,11,16)(H,14,18)/b12-5-
InChIKey
LUCROQXUUQXLTD-XGICHPGQSA-N
Compound name
5-hydroxy-6-methyl-4-[(Z)-(6-oxo-1H-pyridin-3-yl)methylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

249.08618 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.093456 157.2
[M+Na]+ 272.075398 166.3
[M-H]- 248.078904 156.6
[M+NH4]+ 267.120003 167.4
[M+K]+ 288.049338 160.7
[M+H-H2O]+ 232.083440 147.8
[M+HCOO]- 294.084381 173.7
[M+CH3COO]- 308.100031 190.4
[M+Na-2H]- 270.060846 161.9
[M]+ 249.08563142 153.3
[M]- 249.08672858 153.3
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.