CID 3058813

75616-01-2

Structural Information

Molecular Formula

C₂₀H₂₀Cl₂N₂O₂

SMILES

CC(=C)CNCC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C20H20Cl2N2O2/c1-13(2)11-23-12-19(25)24(3)18-9-8-14(21)10-16(18)20(26)15-6-4-5-7-17(15)22/h4-10,23H,1,11-12H2,2-3H3

InChIKey

RDPFDPOYAIAAQU-UHFFFAOYSA-N

Compound name

N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-(2-methylprop-2-enylamino)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 390.09018 Da
Monoisotopic Mass: 4.7
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]+	391.097456	190.8
[M+Na]+	413.079398	197.3
[M-H]-	389.082904	197.9
[M+NH4]+	408.124003	203.6
[M+K]+	429.053338	191.3
[M+H-H2O]+	373.087440	184.0
[M+HCOO]-	435.088381	204.3
[M+CH3COO]-	449.104031	227.8
[M+Na-2H]-	411.064846	188.9
[M]+	390.08963142	195.9
[M]-	390.09072858	195.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe