CID 63708

Chi 18

Structural Information

Molecular Formula

C₁₅H₁₁N₃O₃

SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O3/c1-10-16-14-5-3-2-4-13(14)15(19)17(10)11-6-8-12(9-7-11)18(20)21/h2-9H,1H3

InChIKey

YOHKWEFKBJNRBR-UHFFFAOYSA-N

Compound name

2-methyl-3-(4-nitrophenyl)quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 281.08005 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]+	282.08733	159.7
[M+Na]+	304.06927	177.4
[M+NH4]+	299.11387	167.7
[M+K]+	320.04321	172.1
[M-H]-	280.07277	165.3
[M+Na-2H]-	302.05472	169.0
[M]+	281.07950	163.8
[M]-	281.08060	163.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.