CID 63517

73283-22-4

Structural Information

Molecular Formula

C₂₁H₁₄ClN₃O₂

SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CC(=O)C3=CN=CC=C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H14ClN3O2/c22-16-8-2-4-10-18(16)25-20(12-19(26)14-6-5-11-23-13-14)24-17-9-3-1-7-15(17)21(25)27/h1-11,13H,12H2

InChIKey

RWUJDTMORFQDIM-UHFFFAOYSA-N

Compound name

3-(2-chlorophenyl)-2-(2-oxo-2-pyridin-3-ylethyl)quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 375.07745 Da
Monoisotopic Mass: 3.5
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]+	376.08473	187.6
[M+Na]+	398.06667	197.9
[M-H]-	374.07017	194.0
[M+NH4]+	393.11127	196.5
[M+K]+	414.04061	189.5
[M+H-H2O]+	358.07471	175.4
[M+HCOO]-	420.07565	201.0
[M+CH3COO]-	434.09130	197.1
[M+Na-2H]-	396.05212	192.7
[M]+	375.07690	190.7
[M]-	375.07800	190.7

Literature stripe

literature stripe

Patent stripe

patents stripe