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 143.2
[M+Na]+ 252.03796 155.0
[M-H]- 228.04146 150.8
[M+NH4]+ 247.08256 157.2
[M+K]+ 268.01190 153.1
[M+H-H2O]+ 212.04600 135.3
[M+HCOO]- 274.04694 166.3
[M+CH3COO]- 288.06259 157.4
[M+Na-2H]- 250.02341 149.5
[M]+ 229.04819 147.0
[M]- 229.04929 147.0
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.