CID 10016012

747408-78-2

Structural Information

Molecular Formula

C₁₂H₁₂Cl₂N₂O

SMILES

CN(C)CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl

InChI

InChI=1S/C12H12Cl2N2O/c1-16(2)6-7-3-4-8-9(13)5-10(14)12(17)11(8)15-7/h3-5,17H,6H2,1-2H3

InChIKey

YZPOQCQXOSEMAZ-UHFFFAOYSA-N

Compound name

5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 35
References: 819
Patents: 270.03265 Da
Monoisotopic Mass: 3.0
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]+	271.03993	155.5
[M+Na]+	293.02187	171.4
[M+NH4]+	288.06647	164.8
[M+K]+	308.99581	163.1
[M-H]-	269.02537	158.8
[M+Na-2H]-	291.00732	162.6
[M]+	270.03210	159.4
[M]-	270.03320	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe