CID 139597181

Dtxsid701028216

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]+ 234.098556 153.3
[M+Na]+ 256.080498 162.0
[M-H]- 232.084004 153.5
[M+NH4]+ 251.125103 164.6
[M+K]+ 272.054438 156.7
[M+H-H2O]+ 216.088540 143.5
[M+HCOO]- 278.089481 171.1
[M+CH3COO]- 292.105131 189.1
[M+Na-2H]- 254.065946 159.2
[M]+ 233.09073142 149.4
[M]- 233.09182858 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.