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 190.3
[M+Na]+ 395.12539 195.5
[M-H]- 371.12889 199.3
[M+NH4]+ 390.16999 201.3
[M+K]+ 411.09933 190.6
[M+H-H2O]+ 355.13343 180.0
[M+HCOO]- 417.13437 211.8
[M+CH3COO]- 431.15002 216.4
[M+Na-2H]- 393.11084 191.5
[M]+ 372.13562 192.8
[M]- 372.13672 192.8
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.