CID 5896580

4-acetamidochalcone

Structural Information

Molecular Formula
C17H15NO2
SMILES
CC(=O)NC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H15NO2/c1-13(19)18-16-10-7-14(8-11-16)9-12-17(20)15-5-3-2-4-6-15/h2-12H,1H3,(H,18,19)/b12-9+
InChIKey
MJYUMWOKEJNYEM-FMIVXFBMSA-N
Compound name
N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

265.1103 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 161.6
[M+Na]+ 288.09952 167.3
[M-H]- 264.10302 168.0
[M+NH4]+ 283.14412 177.3
[M+K]+ 304.07346 163.0
[M+H-H2O]+ 248.10756 153.6
[M+HCOO]- 310.10850 185.1
[M+CH3COO]- 324.12415 199.0
[M+Na-2H]- 286.08497 165.3
[M]+ 265.10975 160.7
[M]- 265.11085 160.7
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

patents stripe