CID 13665514

6,7-diamino-3,4-dihydro-2h-1,4-benzoxazin-3-one

Structural Information

Molecular Formula
C8H9N3O2
SMILES
C1C(=O)NC2=C(O1)C=C(C(=C2)N)N
InChI
InChI=1S/C8H9N3O2/c9-4-1-6-7(2-5(4)10)13-3-8(12)11-6/h1-2H,3,9-10H2,(H,11,12)
InChIKey
VNKUIKNSFVLUJF-UHFFFAOYSA-N
Compound name
6,7-diamino-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.06947 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.07675 135.8
[M+Na]+ 202.05869 146.7
[M+NH4]+ 197.10329 143.3
[M+K]+ 218.03263 142.4
[M-H]- 178.06219 139.0
[M+Na-2H]- 200.04414 139.6
[M]+ 179.06892 137.9
[M]- 179.07002 137.9
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.