CID 6474693

Schembl25195177

Structural Information

Molecular Formula
C17H15NO3
SMILES
CC(=O)NC1=CC=CC(=C1)/C=C/C(=O)C2=CC=CC=C2O
InChI
InChI=1S/C17H15NO3/c1-12(19)18-14-6-4-5-13(11-14)9-10-17(21)15-7-2-3-8-16(15)20/h2-11,20H,1H3,(H,18,19)/b10-9+
InChIKey
BUYUMAHLIBHUSY-MDZDMXLPSA-N
Compound name
N-[3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

281.1052 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 164.7
[M+Na]+ 304.09442 170.8
[M-H]- 280.09792 170.1
[M+NH4]+ 299.13902 179.2
[M+K]+ 320.06836 166.3
[M+H-H2O]+ 264.10246 157.0
[M+HCOO]- 326.10340 186.8
[M+CH3COO]- 340.11905 200.0
[M+Na-2H]- 302.07987 167.2
[M]+ 281.10465 163.8
[M]- 281.10575 163.8
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.