CID 22097

5837-67-2

Structural Information

Molecular Formula
C22H18O7
SMILES
C1=CC=C(C=C1)CCC(=O)OC2=C(C(=O)OC2=O)OC(=O)CCC3=CC=CC=C3
InChI
InChI=1S/C22H18O7/c23-17(13-11-15-7-3-1-4-8-15)27-19-20(22(26)29-21(19)25)28-18(24)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
CIMLPWNHKBNSGM-UHFFFAOYSA-N
Compound name
[2,5-dioxo-4-(3-phenylpropanoyloxy)furan-3-yl] 3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.10526 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.11254 190.5
[M+Na]+ 417.09448 202.2
[M+NH4]+ 412.13908 195.0
[M+K]+ 433.06842 198.8
[M-H]- 393.09798 194.6
[M+Na-2H]- 415.07993 196.1
[M]+ 394.10471 193.0
[M]- 394.10581 193.0
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.