CID 4608588

477334-34-2

Structural Information

Molecular Formula
C17H16ClNO3
SMILES
C1COC2=C(O1)C=CC(=C2)NCCC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H16ClNO3/c18-13-3-1-12(2-4-13)15(20)7-8-19-14-5-6-16-17(11-14)22-10-9-21-16/h1-6,11,19H,7-10H2
InChIKey
HYCXZIDMCKWICX-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.08188 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.08916 172.1
[M+Na]+ 340.07110 186.9
[M+NH4]+ 335.11570 180.8
[M+K]+ 356.04504 178.9
[M-H]- 316.07460 180.0
[M+Na-2H]- 338.05655 179.0
[M]+ 317.08133 176.8
[M]- 317.08243 176.8
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.