CID 3117363

83800-92-4

Structural Information

Molecular Formula

C₁₄H₁₁ClN₂O

SMILES

C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C14H11ClN2O/c15-10-5-3-4-9(8-10)13-16-12-7-2-1-6-11(12)14(18)17-13/h1-8,13,16H,(H,17,18)

InChIKey

CHTHIDWUTAJPBR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 4
Patents: 258.056 Da
Monoisotopic Mass: 3.2
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]+	259.06328	156.0
[M+Na]+	281.04522	165.0
[M-H]-	257.04872	157.9
[M+NH4]+	276.08982	170.6
[M+K]+	297.01916	156.9
[M+H-H2O]+	241.05326	148.2
[M+HCOO]-	303.05420	167.3
[M+CH3COO]-	317.06985	166.5
[M+Na-2H]-	279.03067	161.7
[M]+	258.05545	152.4
[M]-	258.05655	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe