CID 3015899

37845-71-9

Structural Information

Molecular Formula

C₁₂H₁₆Cl₂N₂O

SMILES

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

InChI

InChI=1S/C12H16Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,16H,6,15H2,1-3H3

InChIKey

QWIQLKPBFDBNMD-UHFFFAOYSA-N

Compound name

1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 274.06396 Da
Monoisotopic Mass: 2.8
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]+	275.07124	161.9
[M+Na]+	297.05318	173.7
[M+NH4]+	292.09778	169.5
[M+K]+	313.02712	167.3
[M-H]-	273.05668	163.8
[M+Na-2H]-	295.03863	166.9
[M]+	274.06341	164.6
[M]-	274.06451	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe