CID 24847163

1,2,4-triazin-3(2h)-one, 5,6-di-2-furanyl-

Structural Information

Molecular Formula
C11H7N3O3
SMILES
C1=COC(=C1)C2=NC(=O)NN=C2C3=CC=CO3
InChI
InChI=1S/C11H7N3O3/c15-11-12-9(7-3-1-5-16-7)10(13-14-11)8-4-2-6-17-8/h1-6H,(H,12,14,15)
InChIKey
TWXXJGSIJAPGHK-UHFFFAOYSA-N
Compound name
5,6-bis(furan-2-yl)-2H-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.04874 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.05602 144.3
[M+Na]+ 252.03796 159.7
[M+NH4]+ 247.08256 151.0
[M+K]+ 268.01190 158.5
[M-H]- 228.04146 149.7
[M+Na-2H]- 250.02341 153.1
[M]+ 229.04819 148.0
[M]- 229.04929 148.0
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.