CID 478825

1087-99-6

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C15H12N2O2/c1-10-6-8-11(9-7-10)17-14(18)12-4-2-3-5-13(12)16-15(17)19/h2-9H,1H3,(H,16,19)

InChIKey

YLPSMOASZOZCLU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 19
Patents: 252.08987 Da
Monoisotopic Mass: 2.5
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]+	253.09715	155.3
[M+Na]+	275.07909	166.7
[M-H]-	251.08259	159.9
[M+NH4]+	270.12369	170.3
[M+K]+	291.05303	160.4
[M+H-H2O]+	235.08713	146.6
[M+HCOO]-	297.08807	175.6
[M+CH3COO]-	311.10372	167.8
[M+Na-2H]-	273.06454	162.6
[M]+	252.08932	155.6
[M]-	252.09042	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe