CID 215385

35629-64-2

Structural Information

Molecular Formula
C11H6N4O5
SMILES
C1=CC(=CC=C1N2C(=O)N=C3N(C2=O)C=CO3)[N+](=O)[O-]
InChI
InChI=1S/C11H6N4O5/c16-9-12-10-13(5-6-20-10)11(17)14(9)7-1-3-8(4-2-7)15(18)19/h1-6H
InChIKey
XVYULYBBPZXBOJ-UHFFFAOYSA-N
Compound name
3-(4-nitrophenyl)-[1,3]oxazolo[3,2-a][1,3,5]triazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0338 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04108 153.1
[M+Na]+ 297.02302 164.9
[M-H]- 273.02652 159.6
[M+NH4]+ 292.06762 165.8
[M+K]+ 312.99696 158.2
[M+H-H2O]+ 257.03106 148.6
[M+HCOO]- 319.03200 177.2
[M+CH3COO]- 333.04765 189.7
[M+Na-2H]- 295.00847 163.9
[M]+ 274.03325 156.8
[M]- 274.03435 156.8
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.