CID 70700714

4,6-dichloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine

Structural Information

Molecular Formula
C6H3Cl2N3O
SMILES
CC1=NOC2=C1C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C6H3Cl2N3O/c1-2-3-4(7)9-6(8)10-5(3)12-11-2/h1H3
InChIKey
NPESVPRQWIQXCG-UHFFFAOYSA-N
Compound name
4,6-dichloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.96532 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.97260 134.5
[M+Na]+ 225.95454 149.2
[M-H]- 201.95804 136.0
[M+NH4]+ 220.99914 153.0
[M+K]+ 241.92848 145.3
[M+H-H2O]+ 185.96258 127.9
[M+HCOO]- 247.96352 147.1
[M+CH3COO]- 261.97917 148.9
[M+Na-2H]- 223.93999 142.4
[M]+ 202.96477 141.3
[M]- 202.96587 141.3
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.