CID 64097

Brn 5382111

Structural Information

Molecular Formula
C13H10ClN3O2
SMILES
CC1=NOC(=C1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)C
InChI
InChI=1S/C13H10ClN3O2/c1-7-5-12(19-16-7)17-8(2)15-11-6-9(14)3-4-10(11)13(17)18/h3-6H,1-2H3
InChIKey
SOZNVTIUHYQGON-UHFFFAOYSA-N
Compound name
7-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 158.9
[M+Na]+ 298.03536 173.9
[M-H]- 274.03886 164.9
[M+NH4]+ 293.07996 174.2
[M+K]+ 314.00930 168.8
[M+H-H2O]+ 258.04340 150.5
[M+HCOO]- 320.04434 176.3
[M+CH3COO]- 334.05999 172.7
[M+Na-2H]- 296.02081 164.6
[M]+ 275.04559 166.7
[M]- 275.04669 166.7
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.