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]+ 373.143446 190.3
[M+Na]+ 395.125388 195.5
[M-H]- 371.128894 199.3
[M+NH4]+ 390.169993 201.3
[M+K]+ 411.099328 190.6
[M+H-H2O]+ 355.133430 180.0
[M+HCOO]- 417.134371 211.8
[M+CH3COO]- 431.150021 216.4
[M+Na-2H]- 393.110836 191.5
[M]+ 372.13562142 192.8
[M]- 372.13671858 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.