CID 732536

2-(2-tert-butylphenoxy)-n-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

Structural Information

Molecular Formula
C20H23NO4
SMILES
CC(C)(C)C1=CC=CC=C1OCC(=O)NC2=CC3=C(C=C2)OCCO3
InChI
InChI=1S/C20H23NO4/c1-20(2,3)15-6-4-5-7-16(15)25-13-19(22)21-14-8-9-17-18(12-14)24-11-10-23-17/h4-9,12H,10-11,13H2,1-3H3,(H,21,22)
InChIKey
DIRFUSJWPJWVRT-UHFFFAOYSA-N
Compound name
2-(2-tert-butylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.16272 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.169996 182.1
[M+Na]+ 364.151938 186.8
[M-H]- 340.155444 190.2
[M+NH4]+ 359.196543 193.2
[M+K]+ 380.125878 186.3
[M+H-H2O]+ 324.159980 173.6
[M+HCOO]- 386.160921 198.8
[M+CH3COO]- 400.176571 213.6
[M+Na-2H]- 362.137386 188.4
[M]+ 341.16217142 184.1
[M]- 341.16326858 184.1
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.