CID 135511102

Chembl141894

Structural Information

Molecular Formula

C₁₉H₁₉N₃O₃

SMILES

COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2

InChI

InChI=1S/C19H19N3O3/c1-24-15-4-2-3-13(11-15)18-20-17-6-5-14(12-16(17)19(23)21-18)22-7-9-25-10-8-22/h2-6,11-12H,7-10H2,1H3,(H,20,21,23)

InChIKey

KHMGRMISMYGXLU-UHFFFAOYSA-N

Compound name

2-(3-methoxyphenyl)-6-morpholin-4-yl-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 337.14264 Da
Monoisotopic Mass: 2.1
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]+	338.14992	181.2
[M+Na]+	360.13186	188.5
[M-H]-	336.13536	186.5
[M+NH4]+	355.17646	188.8
[M+K]+	376.10580	183.2
[M+H-H2O]+	320.13990	169.1
[M+HCOO]-	382.14084	194.4
[M+CH3COO]-	396.15649	189.9
[M+Na-2H]-	358.11731	185.8
[M]+	337.14209	178.8
[M]-	337.14319	178.8

Literature stripe

literature stripe

Patent stripe

patents stripe