CID 24810637

Chembl218891

Structural Information

Molecular Formula

C₁₈H₁₇N₃O₂

SMILES

COC1=CC=C(C=C1)/C=N/NC2=C3C=C(C=CC3=NC=C2)OC

InChI

InChI=1S/C18H17N3O2/c1-22-14-5-3-13(4-6-14)12-20-21-18-9-10-19-17-8-7-15(23-2)11-16(17)18/h3-12H,1-2H3,(H,19,21)/b20-12+

InChIKey

DYIMJBKFNINWEL-UDWIEESQSA-N

Compound name

6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]quinolin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 307.13208 Da
Monoisotopic Mass: 3.7
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]+	308.13936	170.4
[M+Na]+	330.12130	178.2
[M-H]-	306.12480	178.0
[M+NH4]+	325.16590	184.9
[M+K]+	346.09524	173.9
[M+H-H2O]+	290.12934	160.3
[M+HCOO]-	352.13028	195.9
[M+CH3COO]-	366.14593	212.8
[M+Na-2H]-	328.10675	178.8
[M]+	307.13153	173.6
[M]-	307.13263	173.6

Literature stripe

literature stripe

Patent stripe

patents stripe