CID 139594900

5-hydroxy-6-methyl-4-[(z)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one

Structural Information

Molecular Formula
C10H11N5O2
SMILES
CC1=NNC(=O)N(C1O)/N=C\C2=CN=CC=C2
InChI
InChI=1S/C10H11N5O2/c1-7-9(16)15(10(17)14-13-7)12-6-8-3-2-4-11-5-8/h2-6,9,16H,1H3,(H,14,17)/b12-6-
InChIKey
FIRZWXQKJBFMDJ-SDQBBNPISA-N
Compound name
5-hydroxy-6-methyl-4-[(Z)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

233.09128 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09856 153.8
[M+Na]+ 256.08050 162.3
[M-H]- 232.08400 154.1
[M+NH4]+ 251.12510 165.2
[M+K]+ 272.05444 157.5
[M+H-H2O]+ 216.08854 144.0
[M+HCOO]- 278.08948 171.5
[M+CH3COO]- 292.10513 189.7
[M+Na-2H]- 254.06595 159.8
[M]+ 233.09073 150.6
[M]- 233.09183 150.6
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.