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 190.3
[M+Na]+ 417.09448 196.1
[M-H]- 393.09798 200.7
[M+NH4]+ 412.13908 201.0
[M+K]+ 433.06842 194.5
[M+H-H2O]+ 377.10252 181.5
[M+HCOO]- 439.10346 211.8
[M+CH3COO]- 453.11911 217.8
[M+Na-2H]- 415.07993 189.7
[M]+ 394.10471 196.4
[M]- 394.10581 196.4
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.