CID 10665700

Maculalactone b

Structural Information

Molecular Formula
C25H20O2
SMILES
C1=CC=C(C=C1)CC\2=C(C(=O)O/C2=C\C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C25H20O2/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/h1-15,18H,16-17H2/b24-18-
InChIKey
LUUFEHDSGHDNCI-MOHJPFBDSA-N
Compound name
(5Z)-3,4-dibenzyl-5-benzylidenefuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

352.14633 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.15361 186.6
[M+Na]+ 375.13555 193.4
[M-H]- 351.13905 199.6
[M+NH4]+ 370.18015 199.1
[M+K]+ 391.10949 187.2
[M+H-H2O]+ 335.14359 177.0
[M+HCOO]- 397.14453 208.9
[M+CH3COO]- 411.16018 197.5
[M+Na-2H]- 373.12100 187.7
[M]+ 352.14578 186.4
[M]- 352.14688 186.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe