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]+ 200.02213 138.6
[M+Na]+ 222.00407 148.8
[M-H]- 198.00757 139.5
[M+NH4]+ 217.04867 154.8
[M+K]+ 237.97801 145.1
[M+H-H2O]+ 182.01211 132.2
[M+HCOO]- 244.01305 152.1
[M+CH3COO]- 258.02870 150.9
[M+Na-2H]- 219.98952 146.0
[M]+ 199.01430 137.1
[M]- 199.01540 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.