CID 242637

603-23-6

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂

SMILES

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

InChI

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

InChIKey

BHQNJNLXFVJFFI-UHFFFAOYSA-N

Compound name

3-phenyl-1H-quinazoline-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 23
Patents: 238.07423 Da
Monoisotopic Mass: 2.1
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]+	239.081506	150.5
[M+Na]+	261.063448	161.3
[M-H]-	237.066954	154.8
[M+NH4]+	256.108053	165.7
[M+K]+	277.037388	155.2
[M+H-H2O]+	221.071490	141.7
[M+HCOO]-	283.072431	171.1
[M+CH3COO]-	297.088081	163.0
[M+Na-2H]-	259.048896	159.1
[M]+	238.07368142	150.0
[M]-	238.07477858	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe