CID 478830

67117-00-4

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=O)C

InChI

InChI=1S/C16H14N2O2/c1-10-7-8-12(9-11(10)2)18-15(19)13-5-3-4-6-14(13)17-16(18)20/h3-9H,1-2H3,(H,17,20)

InChIKey

FXEXHMXQUCOZBV-UHFFFAOYSA-N

Compound name

3-(3,4-dimethylphenyl)-1H-quinazoline-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 266.10553 Da
Monoisotopic Mass: 2.9
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]+	267.112806	160.1
[M+Na]+	289.094748	171.9
[M-H]-	265.098254	165.0
[M+NH4]+	284.139353	174.9
[M+K]+	305.068688	165.5
[M+H-H2O]+	249.102790	151.3
[M+HCOO]-	311.103731	180.0
[M+CH3COO]-	325.119381	172.4
[M+Na-2H]-	287.080196	166.1
[M]+	266.10498142	161.2
[M]-	266.10607858	161.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.