CID 217235

38338-89-5

Structural Information

Molecular Formula

C₁₂H₁₈Cl₂N₂O

SMILES

CCN(CC)CC(C1=CC(=C(C(=C1)Cl)N)Cl)O

InChI

InChI=1S/C12H18Cl2N2O/c1-3-16(4-2)7-11(17)8-5-9(13)12(15)10(14)6-8/h5-6,11,17H,3-4,7,15H2,1-2H3

InChIKey

JCPNIXZDHDOCPA-UHFFFAOYSA-N

Compound name

1-(4-amino-3,5-dichlorophenyl)-2-(diethylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 276.07962 Da
Monoisotopic Mass: 2.4
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]+	277.086896	162.5
[M+Na]+	299.068838	170.3
[M-H]-	275.072344	165.2
[M+NH4]+	294.113443	179.7
[M+K]+	315.042778	165.3
[M+H-H2O]+	259.076880	158.1
[M+HCOO]-	321.077821	176.1
[M+CH3COO]-	335.093471	205.0
[M+Na-2H]-	297.054286	162.6
[M]+	276.07907142	165.5
[M]-	276.08016858	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe