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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	256.108046	156.8
[M+Na]+	278.089988	170.8
[M-H]-	254.093494	163.0
[M+NH4]+	273.134593	172.2
[M+K]+	294.063928	166.9
[M+H-H2O]+	238.098030	148.2
[M+HCOO]-	300.098971	178.7
[M+CH3COO]-	314.114621	170.7
[M+Na-2H]-	276.075436	162.6
[M]+	255.10022142	163.0
[M]-	255.10131858	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.