CID 6292

Methaqualone

Structural Information

Molecular Formula

C₁₆H₁₄N₂O

SMILES

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3

InChIKey

JEYCTXHKTXCGPB-UHFFFAOYSA-N

Compound name

2-methyl-3-(2-methylphenyl)quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 825
References: 17877
Patents: 250.11061 Da
Monoisotopic Mass: 2.5
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]+	251.11789	156.9
[M+Na]+	273.09983	168.1
[M-H]-	249.10333	162.7
[M+NH4]+	268.14443	172.8
[M+K]+	289.07377	162.4
[M+H-H2O]+	233.10787	147.7
[M+HCOO]-	295.10881	178.0
[M+CH3COO]-	309.12446	169.7
[M+Na-2H]-	271.08528	164.1
[M]+	250.11006	158.6
[M]-	250.11116	158.6

Literature stripe

literature stripe

Patent stripe

patents stripe