CID 165914181

7-chloro-2h,3h-[1,3]oxazolo[4,5-d]pyrimidin-2-one

Structural Information

Molecular Formula
C5H2ClN3O2
SMILES
C1=NC2=C(C(=N1)Cl)OC(=O)N2
InChI
InChI=1S/C5H2ClN3O2/c6-3-2-4(8-1-7-3)9-5(10)11-2/h1H,(H,7,8,9,10)
InChIKey
NAPVNGBFVAMJRG-UHFFFAOYSA-N
Compound name
7-chloro-3H-[1,3]oxazolo[4,5-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.98355 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.99083 126.1
[M+Na]+ 193.97277 140.0
[M-H]- 169.97627 127.1
[M+NH4]+ 189.01737 144.6
[M+K]+ 209.94671 136.6
[M+H-H2O]+ 153.98081 119.7
[M+HCOO]- 215.98175 143.4
[M+CH3COO]- 229.99740 140.8
[M+Na-2H]- 191.95822 135.9
[M]+ 170.98300 130.5
[M]- 170.98410 130.5
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.