CID 292556

83800-95-7

Structural Information

Molecular Formula

C₁₆H₁₆N₂O

SMILES

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

InChI

InChI=1S/C16H16N2O/c1-10-7-8-11(2)13(9-10)15-17-14-6-4-3-5-12(14)16(19)18-15/h3-9,15,17H,1-2H3,(H,18,19)

InChIKey

YJPGBNWVIDVAHH-UHFFFAOYSA-N

Compound name

2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 252.12627 Da
Monoisotopic Mass: 3.3
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]+	253.133546	159.8
[M+Na]+	275.115488	168.1
[M-H]-	251.118994	162.1
[M+NH4]+	270.160093	174.1
[M+K]+	291.089428	161.2
[M+H-H2O]+	235.123530	151.3
[M+HCOO]-	297.124471	175.1
[M+CH3COO]-	311.140121	170.2
[M+Na-2H]-	273.100936	164.1
[M]+	252.12572142	155.1
[M]-	252.12681858	155.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.