CID 300462

62442-25-5

Structural Information

Molecular Formula
C12H10N4O4
SMILES
C1=COC(=C1)C2NC(=O)N3N2C(=O)NC3C4=CC=CO4
InChI
InChI=1S/C12H10N4O4/c17-11-13-9(7-3-1-5-19-7)15-12(18)14-10(16(11)15)8-4-2-6-20-8/h1-6,9-10H,(H,13,17)(H,14,18)
InChIKey
UMQAGLYYNVQUOZ-UHFFFAOYSA-N
Compound name
1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0702 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07748 155.9
[M+Na]+ 297.05942 165.8
[M-H]- 273.06292 162.6
[M+NH4]+ 292.10402 170.5
[M+K]+ 313.03336 164.6
[M+H-H2O]+ 257.06746 150.3
[M+HCOO]- 319.06840 173.4
[M+CH3COO]- 333.08405 168.0
[M+Na-2H]- 295.04487 153.4
[M]+ 274.06965 157.0
[M]- 274.07075 157.0
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.