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]+ 395.112536 190.3
[M+Na]+ 417.094478 196.1
[M-H]- 393.097984 200.7
[M+NH4]+ 412.139083 201.0
[M+K]+ 433.068418 194.5
[M+H-H2O]+ 377.102520 181.5
[M+HCOO]- 439.103461 211.8
[M+CH3COO]- 453.119111 217.8
[M+Na-2H]- 415.079926 189.7
[M]+ 394.10471142 196.4
[M]- 394.10580858 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.