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]+ 276.053416 158.9
[M+Na]+ 298.035358 173.9
[M-H]- 274.038864 164.9
[M+NH4]+ 293.079963 174.2
[M+K]+ 314.009298 168.8
[M+H-H2O]+ 258.043400 150.5
[M+HCOO]- 320.044341 176.3
[M+CH3COO]- 334.059991 172.7
[M+Na-2H]- 296.020806 164.6
[M]+ 275.04559142 166.7
[M]- 275.04668858 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.