CID 5844008

4-[3-(4-methoxyphenyl)-3-oxo-1-propenyl]phenyl 2-phenylacetate

Structural Information

Molecular Formula
C24H20O4
SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C24H20O4/c1-27-21-14-10-20(11-15-21)23(25)16-9-18-7-12-22(13-8-18)28-24(26)17-19-5-3-2-4-6-19/h2-16H,17H2,1H3/b16-9+
InChIKey
JSIKDFMPYNBMDC-CXUHLZMHSA-N
Compound name
[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.13617 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.14345 190.0
[M+Na]+ 395.12539 205.1
[M+NH4]+ 390.16999 196.8
[M+K]+ 411.09933 196.3
[M-H]- 371.12889 195.6
[M+Na-2H]- 393.11084 200.0
[M]+ 372.13562 193.8
[M]- 372.13672 193.8
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.