CID 135413123

4(3h)-quinazolinone, 2-morpholino-

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₂

SMILES

C1COCCN1C2=NC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C12H13N3O2/c16-11-9-3-1-2-4-10(9)13-12(14-11)15-5-7-17-8-6-15/h1-4H,5-8H2,(H,13,14,16)

InChIKey

ZMYICHDMZXHSOL-UHFFFAOYSA-N

Compound name

2-morpholin-4-yl-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 15
Patents: 231.10077 Da
Monoisotopic Mass: 0.3
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]+	232.108046	151.1
[M+Na]+	254.089988	158.7
[M-H]-	230.093494	153.3
[M+NH4]+	249.134593	163.4
[M+K]+	270.063928	154.9
[M+H-H2O]+	214.098030	141.2
[M+HCOO]-	276.098971	165.6
[M+CH3COO]-	290.114621	161.6
[M+Na-2H]-	252.075436	158.8
[M]+	231.10022142	147.0
[M]-	231.10131858	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe