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]+ 342.17000 182.1
[M+Na]+ 364.15194 186.8
[M-H]- 340.15544 190.2
[M+NH4]+ 359.19654 193.2
[M+K]+ 380.12588 186.3
[M+H-H2O]+ 324.15998 173.6
[M+HCOO]- 386.16092 198.8
[M+CH3COO]- 400.17657 213.6
[M+Na-2H]- 362.13739 188.4
[M]+ 341.16217 184.1
[M]- 341.16327 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.