CID 63336

Brn 5345925

Structural Information

Molecular Formula
C14H13N3O2
SMILES
CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC(=NO3)C)C
InChI
InChI=1S/C14H13N3O2/c1-8-4-5-12-11(6-8)14(18)17(10(3)15-12)13-7-9(2)16-19-13/h4-7H,1-3H3
InChIKey
DBJKQJYMHQIADO-UHFFFAOYSA-N
Compound name
2,6-dimethyl-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

255.10077 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10805 156.8
[M+Na]+ 278.08999 170.8
[M-H]- 254.09349 163.0
[M+NH4]+ 273.13459 172.2
[M+K]+ 294.06393 166.9
[M+H-H2O]+ 238.09803 148.2
[M+HCOO]- 300.09897 178.7
[M+CH3COO]- 314.11462 170.7
[M+Na-2H]- 276.07544 162.6
[M]+ 255.10022 163.0
[M]- 255.10132 163.0
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

No patent data available for this compound.