CID 21575399

Maculalactone l

Structural Information

Molecular Formula
C25H22O3
SMILES
C1=CC=C(C=C1)CC2/C(=C/C3=CC=CC=C3)/C(C(=O)O2)(CC4=CC=CC=C4)O
InChI
InChI=1S/C25H22O3/c26-24-25(27,18-21-14-8-3-9-15-21)22(16-19-10-4-1-5-11-19)23(28-24)17-20-12-6-2-7-13-20/h1-16,23,27H,17-18H2/b22-16-
InChIKey
WGASWKHIQMYEHL-JWGURIENSA-N
Compound name
(4Z)-3,5-dibenzyl-4-benzylidene-3-hydroxyoxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

370.1569 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16418 191.0
[M+Na]+ 393.14612 197.2
[M-H]- 369.14962 202.8
[M+NH4]+ 388.19072 204.0
[M+K]+ 409.12006 191.4
[M+H-H2O]+ 353.15416 181.7
[M+HCOO]- 415.15510 210.7
[M+CH3COO]- 429.17075 201.0
[M+Na-2H]- 391.13157 192.0
[M]+ 370.15635 189.4
[M]- 370.15745 189.4
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

patents stripe