CID 45269313

Chembl561800

Structural Information

Molecular Formula

C₂₀H₂₂N₄O

SMILES

CC1=CC(=C2C=C(C=CC2=N1)OC)N/N=C/C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C20H22N4O/c1-14-11-20(18-12-17(25-4)9-10-19(18)22-14)23-21-13-15-5-7-16(8-6-15)24(2)3/h5-13H,1-4H3,(H,22,23)/b21-13+

InChIKey

BBNJBDBOARILOO-FYJGNVAPSA-N

Compound name

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methoxy-2-methylquinolin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 334.17935 Da
Monoisotopic Mass: 4.3
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]+	335.186626	181.1
[M+Na]+	357.168568	188.3
[M-H]-	333.172074	190.1
[M+NH4]+	352.213173	195.1
[M+K]+	373.142508	184.4
[M+H-H2O]+	317.176610	170.5
[M+HCOO]-	379.177551	207.2
[M+CH3COO]-	393.193201	226.2
[M+Na-2H]-	355.154016	187.4
[M]+	334.17880142	184.6
[M]-	334.17989858	184.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.