CID 292559

Dtxsid901226783

Structural Information

Molecular Formula

C₁₅H₁₄N₂O

SMILES

CC1=CC(=CC=C1)C2NC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C15H14N2O/c1-10-5-4-6-11(9-10)14-16-13-8-3-2-7-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18)

InChIKey

IZRZUJFPYGNHRH-UHFFFAOYSA-N

Compound name

2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 5
Patents: 238.11061 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]+	239.117886	154.9
[M+Na]+	261.099828	162.7
[M-H]-	237.103334	156.9
[M+NH4]+	256.144433	169.4
[M+K]+	277.073768	155.9
[M+H-H2O]+	221.107870	146.4
[M+HCOO]-	283.108811	170.5
[M+CH3COO]-	297.124461	165.3
[M+Na-2H]-	259.085276	160.5
[M]+	238.11006142	149.4
[M]-	238.11115858	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe