CID 11394099

Maculalactone

Structural Information

Molecular Formula
C25H22O2
SMILES
C1=CC=C(C=C1)CC2C(=C(C(=O)O2)CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C25H22O2/c26-25-23(17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)24(27-25)18-21-14-8-3-9-15-21/h1-15,24H,16-18H2
InChIKey
IQRURBLUDNZHDE-UHFFFAOYSA-N
Compound name
2,3,4-tribenzyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

354.162 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16928 187.1
[M+Na]+ 377.15122 193.5
[M-H]- 353.15472 200.1
[M+NH4]+ 372.19582 199.6
[M+K]+ 393.12516 188.0
[M+H-H2O]+ 337.15926 177.4
[M+HCOO]- 399.16020 209.2
[M+CH3COO]- 413.17585 198.0
[M+Na-2H]- 375.13667 188.3
[M]+ 354.16145 187.7
[M]- 354.16255 187.7
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

patents stripe