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

literature stripe

Patent stripe

patents stripe