CID 727596

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

Structural Information

Molecular Formula
C16H15NO3
SMILES
C1COC2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C16H15NO3/c18-16(10-12-4-2-1-3-5-12)17-13-6-7-14-15(11-13)20-9-8-19-14/h1-7,11H,8-10H2,(H,17,18)
InChIKey
IZVXDKGYEUHJBT-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

269.1052 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11248 160.2
[M+Na]+ 292.09442 165.6
[M-H]- 268.09792 168.4
[M+NH4]+ 287.13902 173.9
[M+K]+ 308.06836 164.5
[M+H-H2O]+ 252.10246 151.9
[M+HCOO]- 314.10340 179.8
[M+CH3COO]- 328.11905 171.7
[M+Na-2H]- 290.07987 168.3
[M]+ 269.10465 159.6
[M]- 269.10575 159.6
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.