CID 135570466

Brn 5342622

Structural Information

Molecular Formula
C13H11N3O2
SMILES
CC1=CC2=C(C=C1)C(=O)NC(=N2)C3=CC(=NO3)C
InChI
InChI=1S/C13H11N3O2/c1-7-3-4-9-10(5-7)14-12(15-13(9)17)11-6-8(2)16-18-11/h3-6H,1-2H3,(H,14,15,17)
InChIKey
OQHPVDHJKNAGDR-UHFFFAOYSA-N
Compound name
7-methyl-2-(3-methyl-1,2-oxazol-5-yl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08513 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.092406 152.3
[M+Na]+ 264.074348 165.4
[M-H]- 240.077854 157.0
[M+NH4]+ 259.118953 167.2
[M+K]+ 280.048288 160.8
[M+H-H2O]+ 224.082390 143.9
[M+HCOO]- 286.083331 173.1
[M+CH3COO]- 300.098981 165.7
[M+Na-2H]- 262.059796 159.0
[M]+ 241.08458142 156.0
[M]- 241.08567858 156.0
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.