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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.06075 185.5
[M+Na]+ 404.04269 200.4
[M+NH4]+ 399.08729 193.5
[M+K]+ 420.01663 192.2
[M-H]- 380.04619 192.6
[M+Na-2H]- 402.02814 191.4
[M]+ 381.05292 190.3
[M]- 381.05402 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.