CID 217245

38339-10-5

Structural Information

Molecular Formula

C₁₁H₁₆Cl₂N₂O

SMILES

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

InChI

InChI=1S/C11H16Cl2N2O/c1-2-3-15-6-10(16)7-4-8(12)11(14)9(13)5-7/h4-5,10,15-16H,2-3,6,14H2,1H3

InChIKey

IFBFPELKOBCCTN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.06396 Da
Monoisotopic Mass: 2.1
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]+	263.071236	158.0
[M+Na]+	285.053178	166.1
[M-H]-	261.056684	159.4
[M+NH4]+	280.097783	175.2
[M+K]+	301.027118	159.9
[M+H-H2O]+	245.061220	154.0
[M+HCOO]-	307.062161	171.5
[M+CH3COO]-	321.077811	198.7
[M+Na-2H]-	283.038626	159.4
[M]+	262.06341142	159.4
[M]-	262.06450858	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe