CID 46942125

1260656-68-5

Structural Information

Molecular Formula
C14H11ClN4O2
SMILES
CC1=NOC(=C1)C2=CN=C(N=C2C3=NC(=CC=C3)Cl)OC
InChI
InChI=1S/C14H11ClN4O2/c1-8-6-11(21-19-8)9-7-16-14(20-2)18-13(9)10-4-3-5-12(15)17-10/h3-7H,1-2H3
InChIKey
JYDNRRGALKLEAR-UHFFFAOYSA-N
Compound name
5-[4-(6-chloropyridin-2-yl)-2-methoxypyrimidin-5-yl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

302.05707 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06435 167.1
[M+Na]+ 325.04629 179.1
[M-H]- 301.04979 173.0
[M+NH4]+ 320.09089 178.0
[M+K]+ 341.02023 174.3
[M+H-H2O]+ 285.05433 156.3
[M+HCOO]- 347.05527 182.5
[M+CH3COO]- 361.07092 179.0
[M+Na-2H]- 323.03174 171.2
[M]+ 302.05652 173.0
[M]- 302.05762 173.0
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