CID 165602815

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

Structural Information

Molecular Formula
C7H5ClN2O3
SMILES
C1C(=O)N(C2=CN=C(C=C2O1)Cl)O
InChI
InChI=1S/C7H5ClN2O3/c8-6-1-5-4(2-9-6)10(12)7(11)3-13-5/h1-2,12H,3H2
InChIKey
PJQBEWLTEHYVCS-UHFFFAOYSA-N
Compound name
7-chloro-4-hydroxypyrido[4,3-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.99887 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00615 135.5
[M+Na]+ 222.98809 146.5
[M-H]- 198.99159 137.1
[M+NH4]+ 218.03269 152.3
[M+K]+ 238.96203 143.8
[M+H-H2O]+ 182.99613 129.4
[M+HCOO]- 244.99707 148.8
[M+CH3COO]- 259.01272 179.0
[M+Na-2H]- 220.97354 143.7
[M]+ 199.99832 137.2
[M]- 199.99942 137.2
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.