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]+ 270.112476 160.2
[M+Na]+ 292.094418 165.6
[M-H]- 268.097924 168.4
[M+NH4]+ 287.139023 173.9
[M+K]+ 308.068358 164.5
[M+H-H2O]+ 252.102460 151.9
[M+HCOO]- 314.103401 179.8
[M+CH3COO]- 328.119051 171.7
[M+Na-2H]- 290.079866 168.3
[M]+ 269.10465142 159.6
[M]- 269.10574858 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.