CID 135511165

6-methyl-3-(5-nitro-2-furyl)-5h-isoxazolo[5,4-d]pyrimidin-4-one

Structural Information

Molecular Formula
C10H6N4O5
SMILES
CC1=NC2=C(C(=NO2)C3=CC=C(O3)[N+](=O)[O-])C(=O)N1
InChI
InChI=1S/C10H6N4O5/c1-4-11-9(15)7-8(13-19-10(7)12-4)5-2-3-6(18-5)14(16)17/h2-3H,1H3,(H,11,12,15)
InChIKey
GPUMDOMUYXIFBD-UHFFFAOYSA-N
Compound name
6-methyl-3-(5-nitrofuran-2-yl)-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0338 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04108 150.8
[M+Na]+ 285.02302 162.1
[M-H]- 261.02652 157.0
[M+NH4]+ 280.06762 163.9
[M+K]+ 300.99696 156.7
[M+H-H2O]+ 245.03106 148.1
[M+HCOO]- 307.03200 173.4
[M+CH3COO]- 321.04765 185.5
[M+Na-2H]- 283.00847 159.6
[M]+ 262.03325 154.5
[M]- 262.03435 154.5
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.