CID 3846558

24365-65-9

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

CN1CC2=CC=CC=C2NC1=O

InChI

InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)

InChIKey

GINUUQLRYXHAPB-UHFFFAOYSA-N

Compound name

3-methyl-1,4-dihydroquinazolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 265
Patents: 162.07932 Da
Monoisotopic Mass: 0.7
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]+	163.086596	133.2
[M+Na]+	185.068538	141.9
[M-H]-	161.072044	133.6
[M+NH4]+	180.113143	151.9
[M+K]+	201.042478	138.2
[M+H-H2O]+	145.076580	126.3
[M+HCOO]-	207.077521	151.1
[M+CH3COO]-	221.093171	145.7
[M+Na-2H]-	183.053986	140.8
[M]+	162.07877142	129.7
[M]-	162.07986858	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe