CID 63733

10376-59-7

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCO

InChI

InChI=1S/C11H12N2O2/c1-8-12-10-5-3-2-4-9(10)11(15)13(8)6-7-14/h2-5,14H,6-7H2,1H3

InChIKey

JRXGAWVXJUVHTD-UHFFFAOYSA-N

Compound name

3-(2-hydroxyethyl)-2-methylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 24
Patents: 204.08987 Da
Monoisotopic Mass: 0.2
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]+	205.097146	142.8
[M+Na]+	227.079088	153.5
[M-H]-	203.082594	144.0
[M+NH4]+	222.123693	160.2
[M+K]+	243.053028	149.5
[M+H-H2O]+	187.087130	135.6
[M+HCOO]-	249.088071	163.1
[M+CH3COO]-	263.103721	184.4
[M+Na-2H]-	225.064536	150.6
[M]+	204.08932142	144.8
[M]-	204.09041858	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe