CID 135526856

18731-19-6

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: 122
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]+	175.08660	135.3
[M+Na]+	197.06854	150.9
[M+NH4]+	192.11314	143.9
[M+K]+	213.04248	143.7
[M-H]-	173.07204	137.1
[M+Na-2H]-	195.05399	142.6
[M]+	174.07877	138.1
[M]-	174.07987	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe