CID 9571030

Brn 0835510

Structural Information

Molecular Formula

C₂₂H₁₇N₃O₂

SMILES

COC1=CC=C(C=C1)/C=N/N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O2/c1-27-18-13-11-16(12-14-18)15-23-25-21(17-7-3-2-4-8-17)24-20-10-6-5-9-19(20)22(25)26/h2-15H,1H3/b23-15+

InChIKey

ZXFSJSIQVPUEIZ-HZHRSRAPSA-N

Compound name

3-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 355.13208 Da
Monoisotopic Mass: 4.1
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]+	356.13936	186.0
[M+Na]+	378.12130	195.1
[M-H]-	354.12480	195.3
[M+NH4]+	373.16590	196.8
[M+K]+	394.09524	188.4
[M+H-H2O]+	338.12934	173.5
[M+HCOO]-	400.13028	208.7
[M+CH3COO]-	414.14593	196.6
[M+Na-2H]-	376.10675	193.1
[M]+	355.13153	188.3
[M]-	355.13263	188.3

Literature stripe

literature stripe

Patent stripe

patents stripe