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]+ 242.09241 152.3
[M+Na]+ 264.07435 165.4
[M-H]- 240.07785 157.0
[M+NH4]+ 259.11895 167.2
[M+K]+ 280.04829 160.8
[M+H-H2O]+ 224.08239 143.9
[M+HCOO]- 286.08333 173.1
[M+CH3COO]- 300.09898 165.7
[M+Na-2H]- 262.05980 159.0
[M]+ 241.08458 156.0
[M]- 241.08568 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.