CID 503983

Chembl282556

Structural Information

Molecular Formula

C₁₂H₁₂Cl₂N₂

SMILES

CC1=C(C2=C(C=C(C=C2)N(C)C)N=C1Cl)Cl

InChI

InChI=1S/C12H12Cl2N2/c1-7-11(13)9-5-4-8(16(2)3)6-10(9)15-12(7)14/h4-6H,1-3H3

InChIKey

FBIHTPNZQCZNTF-UHFFFAOYSA-N

Compound name

2,4-dichloro-N,N,3-trimethylquinolin-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 254.03775 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]+	255.04503	152.5
[M+Na]+	277.02697	164.1
[M-H]-	253.03047	156.9
[M+NH4]+	272.07157	171.8
[M+K]+	293.00091	158.8
[M+H-H2O]+	237.03501	146.9
[M+HCOO]-	299.03595	166.3
[M+CH3COO]-	313.05160	201.4
[M+Na-2H]-	275.01242	157.7
[M]+	254.03720	158.0
[M]-	254.03830	158.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.