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]+ 201.006146 135.5
[M+Na]+ 222.988088 146.5
[M-H]- 198.991594 137.1
[M+NH4]+ 218.032693 152.3
[M+K]+ 238.962028 143.8
[M+H-H2O]+ 182.996130 129.4
[M+HCOO]- 244.997071 148.8
[M+CH3COO]- 259.012721 179.0
[M+Na-2H]- 220.973536 143.7
[M]+ 199.99832142 137.2
[M]- 199.99941858 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.