CID 139597181

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

Structural Information

Molecular Formula
C10H11N5O2
SMILES
CC1=NNC(=O)N(C1)/N=C\C2=CNC(=O)C=C2
InChI
InChI=1S/C10H11N5O2/c1-7-6-15(10(17)14-13-7)12-5-8-2-3-9(16)11-4-8/h2-5H,6H2,1H3,(H,11,16)(H,14,17)/b12-5-
InChIKey
SWYAAMNNHNMREO-XGICHPGQSA-N
Compound name
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

233.09128 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09856 153.3
[M+Na]+ 256.08050 162.0
[M-H]- 232.08400 153.5
[M+NH4]+ 251.12510 164.6
[M+K]+ 272.05444 156.7
[M+H-H2O]+ 216.08854 143.5
[M+HCOO]- 278.08948 171.1
[M+CH3COO]- 292.10513 189.1
[M+Na-2H]- 254.06595 159.2
[M]+ 233.09073 149.4
[M]- 233.09183 149.4
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.