CID 63218

19395-74-5

Structural Information

Molecular Formula

C₂₁H₂₃N₃O₃

SMILES

CC1N(C(=O)C2=CC=CC=C2N1C(=O)CN3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3/c1-16-23(17-7-3-2-4-8-17)21(26)18-9-5-6-10-19(18)24(16)20(25)15-22-11-13-27-14-12-22/h2-10,16H,11-15H2,1H3

InChIKey

AFOCUYXEEUTSLC-UHFFFAOYSA-N

Compound name

2-methyl-1-(2-morpholin-4-ylacetyl)-3-phenyl-2H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 365.17395 Da
Monoisotopic Mass: 2.3
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]+	366.181226	190.5
[M+Na]+	388.163168	195.3
[M-H]-	364.166674	196.1
[M+NH4]+	383.207773	197.3
[M+K]+	404.137108	190.8
[M+H-H2O]+	348.171210	177.9
[M+HCOO]-	410.172151	200.9
[M+CH3COO]-	424.187801	197.9
[M+Na-2H]-	386.148616	191.4
[M]+	365.17340142	186.3
[M]-	365.17449858	186.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.