CID 64042

Brn 4522878

Structural Information

Molecular Formula
C18H13N3O2
SMILES
CC1=NOC(=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C18H13N3O2/c1-12-11-16(23-20-12)21-17(13-7-3-2-4-8-13)19-15-10-6-5-9-14(15)18(21)22/h2-11H,1H3
InChIKey
MGALUEYSHLIDFY-UHFFFAOYSA-N
Compound name
3-(3-methyl-1,2-oxazol-5-yl)-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.10077 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10805 169.8
[M+Na]+ 326.08999 182.3
[M-H]- 302.09349 178.6
[M+NH4]+ 321.13459 182.1
[M+K]+ 342.06393 176.8
[M+H-H2O]+ 286.09803 159.3
[M+HCOO]- 348.09897 191.4
[M+CH3COO]- 362.11462 182.4
[M+Na-2H]- 324.07544 176.2
[M]+ 303.10022 174.1
[M]- 303.10132 174.1
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.