CID 217246

Clenproperol

Structural Information

Molecular Formula

C₁₁H₁₆Cl₂N₂O

SMILES

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

InChI

InChI=1S/C11H16Cl2N2O/c1-6(2)15-5-10(16)7-3-8(12)11(14)9(13)4-7/h3-4,6,10,15-16H,5,14H2,1-2H3

InChIKey

JXUDZCJTCKCTQK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 55
Patents: 262.06396 Da
Monoisotopic Mass: 2.0
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]+	263.07124	158.0
[M+Na]+	285.05318	165.8
[M-H]-	261.05668	159.4
[M+NH4]+	280.09778	175.0
[M+K]+	301.02712	160.1
[M+H-H2O]+	245.06122	154.1
[M+HCOO]-	307.06216	170.5
[M+CH3COO]-	321.07781	199.6
[M+Na-2H]-	283.03863	158.2
[M]+	262.06341	158.8
[M]-	262.06451	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe