CID 744687

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenoxy)acetamide

Structural Information

Molecular Formula
C18H19NO4
SMILES
CC1=CC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCCO3)C
InChI
InChI=1S/C18H19NO4/c1-12-3-5-15(13(2)9-12)23-11-18(20)19-14-4-6-16-17(10-14)22-8-7-21-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,20)
InChIKey
QRSPJLSPVISTOR-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

313.1314 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.138676 173.6
[M+Na]+ 336.120618 179.8
[M-H]- 312.124124 182.2
[M+NH4]+ 331.165223 186.1
[M+K]+ 352.094558 179.0
[M+H-H2O]+ 296.128660 165.0
[M+HCOO]- 358.129601 192.6
[M+CH3COO]- 372.145251 209.1
[M+Na-2H]- 334.106066 179.2
[M]+ 313.13085142 176.0
[M]- 313.13194858 176.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.