CID 475735

2-amino-6-nitro-5-phenyl-5,6-dihydro-3h-furo[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C12H10N4O4
SMILES
C1=CC=C(C=C1)C2C(OC3=C2C(=O)NC(=N3)N)[N+](=O)[O-]
InChI
InChI=1S/C12H10N4O4/c13-12-14-9(17)8-7(6-4-2-1-3-5-6)11(16(18)19)20-10(8)15-12/h1-5,7,11H,(H3,13,14,15,17)
InChIKey
NPJJUMOIXJQWQG-UHFFFAOYSA-N
Compound name
2-amino-6-nitro-5-phenyl-5,6-dihydro-3H-furo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.0702 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07748 155.6
[M+Na]+ 297.05942 163.7
[M-H]- 273.06292 160.6
[M+NH4]+ 292.10402 168.4
[M+K]+ 313.03336 156.1
[M+H-H2O]+ 257.06746 151.9
[M+HCOO]- 319.06840 176.6
[M+CH3COO]- 333.08405 190.7
[M+Na-2H]- 295.04487 163.4
[M]+ 274.06965 152.6
[M]- 274.07075 152.6
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.