CID 99978877

1211524-67-2

Structural Information

Molecular Formula
C6H4ClN3O2
SMILES
C1C(=O)NC2=C(O1)N=CN=C2Cl
InChI
InChI=1S/C6H4ClN3O2/c7-5-4-6(9-2-8-5)12-1-3(11)10-4/h2H,1H2,(H,10,11)
InChIKey
RNPWYVDIKXJOJZ-UHFFFAOYSA-N
Compound name
4-chloro-5H-pyrimido[4,5-b][1,4]oxazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.9992 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.00648 133.5
[M+Na]+ 207.98842 148.0
[M+NH4]+ 203.03302 141.3
[M+K]+ 223.96236 142.3
[M-H]- 183.99192 134.9
[M+Na-2H]- 205.97387 138.8
[M]+ 184.99865 136.1
[M]- 184.99975 136.1
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.