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

1
Patents

202.96532 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.972596 134.5
[M+Na]+ 225.954538 149.2
[M-H]- 201.958044 136.0
[M+NH4]+ 220.999143 153.0
[M+K]+ 241.928478 145.3
[M+H-H2O]+ 185.962580 127.9
[M+HCOO]- 247.963521 147.1
[M+CH3COO]- 261.979171 148.9
[M+Na-2H]- 223.939986 142.4
[M]+ 202.96477142 141.3
[M]- 202.96586858 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.