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]+ 250.09346 157.2
[M+Na]+ 272.07540 166.3
[M-H]- 248.07890 156.6
[M+NH4]+ 267.12000 167.4
[M+K]+ 288.04934 160.7
[M+H-H2O]+ 232.08344 147.8
[M+HCOO]- 294.08438 173.7
[M+CH3COO]- 308.10003 190.4
[M+Na-2H]- 270.06085 161.9
[M]+ 249.08563 153.3
[M]- 249.08673 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.