CID 64011

Brn 5348151

Structural Information

Molecular Formula
C13H10ClN3O2
SMILES
CC1=NOC(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Cl)C
InChI
InChI=1S/C13H10ClN3O2/c1-7-5-12(19-16-7)17-8(2)15-11-4-3-9(14)6-10(11)13(17)18/h3-6H,1-2H3
InChIKey
OXUDGTKLBHCIGJ-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.04614 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05342 157.7
[M+Na]+ 298.03536 176.2
[M+NH4]+ 293.07996 165.7
[M+K]+ 314.00930 170.3
[M-H]- 274.03886 162.1
[M+Na-2H]- 296.02081 165.8
[M]+ 275.04559 162.1
[M]- 275.04669 162.1
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.