CID 86634909

943995-32-2

Structural Information

Molecular Formula
C6H4ClN3O2
SMILES
C1C(=O)NC2=NC(=NC=C2O1)Cl
InChI
InChI=1S/C6H4ClN3O2/c7-6-8-1-3-5(10-6)9-4(11)2-12-3/h1H,2H2,(H,8,9,10,11)
InChIKey
BJFLSQFORMFAAP-UHFFFAOYSA-N
Compound name
2-chloro-8H-pyrimido[5,4-b][1,4]oxazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

184.9992 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.006476 133.3
[M+Na]+ 207.988418 143.8
[M-H]- 183.991924 133.0
[M+NH4]+ 203.033023 149.0
[M+K]+ 223.962358 140.6
[M+H-H2O]+ 167.996460 126.0
[M+HCOO]- 229.997401 145.2
[M+CH3COO]- 244.013051 145.7
[M+Na-2H]- 205.973866 142.4
[M]+ 184.99865142 133.0
[M]- 184.99974858 133.0
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

patents stripe