CID 326067

Furo[3,4-d]pyrimidine-2,4,7(1h,3h,5h)-trione

Structural Information

Molecular Formula
C6H4N2O4
SMILES
C1C2=C(C(=O)O1)NC(=O)NC2=O
InChI
InChI=1S/C6H4N2O4/c9-4-2-1-12-5(10)3(2)7-6(11)8-4/h1H2,(H2,7,8,9,11)
InChIKey
MFHLWNMYHQMDMV-UHFFFAOYSA-N
Compound name
1,5-dihydrofuro[3,4-d]pyrimidine-2,4,7-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

12
Patents

168.0171 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02438 127.1
[M+Na]+ 191.00632 138.7
[M-H]- 167.00982 128.0
[M+NH4]+ 186.05092 145.4
[M+K]+ 206.98026 136.2
[M+H-H2O]+ 151.01436 121.5
[M+HCOO]- 213.01530 146.6
[M+CH3COO]- 227.03095 170.0
[M+Na-2H]- 188.99177 134.2
[M]+ 168.01655 126.8
[M]- 168.01765 126.8
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

patents stripe