CID 2789890

4-(2,4-dichlorophenoxy)-n-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide

Structural Information

Molecular Formula

C₁₈H₁₇Cl₂NO₄

SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H17Cl2NO4/c19-12-3-5-15(14(20)10-12)23-7-1-2-18(22)21-13-4-6-16-17(11-13)25-9-8-24-16/h3-6,10-11H,1-2,7-9H2,(H,21,22)

InChIKey

SNFZHSXLZLFLAU-UHFFFAOYSA-N

Compound name

4-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 381.05347 Da
Monoisotopic Mass: 4.0
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]+	382.060746	186.5
[M+Na]+	404.042688	193.7
[M-H]-	380.046194	194.0
[M+NH4]+	399.087293	197.6
[M+K]+	420.016628	190.3
[M+H-H2O]+	364.050730	179.2
[M+HCOO]-	426.051671	195.9
[M+CH3COO]-	440.067321	216.6
[M+Na-2H]-	402.028136	190.7
[M]+	381.05292142	192.7
[M]-	381.05401858	192.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.