CID 135458774

1026-04-6

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂

SMILES

C1=CC=C2C(=C1)C(=O)NC(=N2)C3=CC=CC=C3O

InChI

InChI=1S/C14H10N2O2/c17-12-8-4-2-6-10(12)13-15-11-7-3-1-5-9(11)14(18)16-13/h1-8,17H,(H,15,16,18)

InChIKey

OVVWPYNVWLHEGE-UHFFFAOYSA-N

Compound name

2-(2-hydroxyphenyl)-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 139
Patents: 238.07423 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]+	239.08151	151.4
[M+Na]+	261.06345	161.6
[M-H]-	237.06695	154.4
[M+NH4]+	256.10805	166.0
[M+K]+	277.03739	155.2
[M+H-H2O]+	221.07149	143.0
[M+HCOO]-	283.07243	170.4
[M+CH3COO]-	297.08808	163.2
[M+Na-2H]-	259.04890	159.6
[M]+	238.07368	149.9
[M]-	238.07478	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe