CID 135526856

2,6-dimethyl-4(3h)-quinazolinone

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

CC1=CC2=C(C=C1)N=C(NC2=O)C

InChI

InChI=1S/C10H10N2O/c1-6-3-4-9-8(5-6)10(13)12-7(2)11-9/h3-5H,1-2H3,(H,11,12,13)

InChIKey

ZCWWTKGVCYRGQZ-UHFFFAOYSA-N

Compound name

2,6-dimethyl-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 120
Patents: 174.07932 Da
Monoisotopic Mass: 1.1
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]+	175.086596	135.0
[M+Na]+	197.068538	146.2
[M-H]-	173.072044	136.4
[M+NH4]+	192.113143	153.7
[M+K]+	213.042478	141.9
[M+H-H2O]+	157.076580	128.2
[M+HCOO]-	219.077521	155.4
[M+CH3COO]-	233.093171	179.2
[M+Na-2H]-	195.053986	143.4
[M]+	174.07877142	135.1
[M]-	174.07986858	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe