CID 105452508

6-amino-7-chloro-2h,3h,4h-pyrido[3,2-b][1,4]oxazin-3-one

Structural Information

Molecular Formula
C7H6ClN3O2
SMILES
C1C(=O)NC2=NC(=C(C=C2O1)Cl)N
InChI
InChI=1S/C7H6ClN3O2/c8-3-1-4-7(11-6(3)9)10-5(12)2-13-4/h1H,2H2,(H3,9,10,11,12)
InChIKey
RMJOKOITQIZNIP-UHFFFAOYSA-N
Compound name
6-amino-7-chloro-4H-pyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.01485 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.022126 138.6
[M+Na]+ 222.004068 148.8
[M-H]- 198.007574 139.5
[M+NH4]+ 217.048673 154.8
[M+K]+ 237.978008 145.1
[M+H-H2O]+ 182.012110 132.2
[M+HCOO]- 244.013051 152.1
[M+CH3COO]- 258.028701 150.9
[M+Na-2H]- 219.989516 146.0
[M]+ 199.01430142 137.1
[M]- 199.01539858 137.1
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.