CID 53711507

7-chloro-2-methyloxazolo[5,4-d]pyrimidine

Structural Information

Molecular Formula
C6H4ClN3O
SMILES
CC1=NC2=C(O1)N=CN=C2Cl
InChI
InChI=1S/C6H4ClN3O/c1-3-10-4-5(7)8-2-9-6(4)11-3/h2H,1H3
InChIKey
CAUBDSHPZNRFJH-UHFFFAOYSA-N
Compound name
7-chloro-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

169.00429 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.011566 128.0
[M+Na]+ 191.993508 141.8
[M-H]- 167.997014 130.0
[M+NH4]+ 187.038113 147.4
[M+K]+ 207.967448 139.1
[M+H-H2O]+ 152.001550 121.1
[M+HCOO]- 214.002491 146.1
[M+CH3COO]- 228.018141 143.1
[M+Na-2H]- 189.978956 137.7
[M]+ 169.00374142 133.8
[M]- 169.00483858 133.8
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