CID 209624

Brn 1228876

Structural Information

Molecular Formula
C10H8N4O7
SMILES
C1C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC(=O)N1CC(=O)N
InChI
InChI=1S/C10H8N4O7/c11-8(15)4-12-3-5-1-6(13(17)18)2-7(14(19)20)9(5)21-10(12)16/h1-2H,3-4H2,(H2,11,15)
InChIKey
BCBJXAKYDDVECC-UHFFFAOYSA-N
Compound name
2-(6,8-dinitro-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0393 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04658 158.1
[M+Na]+ 319.02852 163.1
[M-H]- 295.03202 161.5
[M+NH4]+ 314.07312 168.6
[M+K]+ 335.00246 154.4
[M+H-H2O]+ 279.03656 159.2
[M+HCOO]- 341.03750 178.4
[M+CH3COO]- 355.05315 193.1
[M+Na-2H]- 317.01397 167.3
[M]+ 296.03875 154.3
[M]- 296.03985 154.3
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.