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

literature stripe

Patent stripe

patents stripe