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 186.5
[M+Na]+ 404.04269 193.7
[M-H]- 380.04619 194.0
[M+NH4]+ 399.08729 197.6
[M+K]+ 420.01663 190.3
[M+H-H2O]+ 364.05073 179.2
[M+HCOO]- 426.05167 195.9
[M+CH3COO]- 440.06732 216.6
[M+Na-2H]- 402.02814 190.7
[M]+ 381.05292 192.7
[M]- 381.05402 192.7
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.