CID 242012

6-amino-3,4-dihydro-2h-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C8H6N2O3
SMILES
C1=CC2=C(C=C1N)C(=O)NC(=O)O2
InChI
InChI=1S/C8H6N2O3/c9-4-1-2-6-5(3-4)7(11)10-8(12)13-6/h1-3H,9H2,(H,10,11,12)
InChIKey
OQBHIDQYRBFXNI-UHFFFAOYSA-N
Compound name
6-amino-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

178.03784 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04512 131.3
[M+Na]+ 201.02706 142.7
[M-H]- 177.03056 134.7
[M+NH4]+ 196.07166 149.1
[M+K]+ 217.00100 140.1
[M+H-H2O]+ 161.03510 125.0
[M+HCOO]- 223.03604 153.8
[M+CH3COO]- 237.05169 178.5
[M+Na-2H]- 199.01251 140.8
[M]+ 178.03729 131.4
[M]- 178.03839 131.4
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

patents stripe