CID 5281392

Calophyllolide

Structural Information

Molecular Formula
C26H24O5
SMILES
C/C=C(\C)/C(=O)C1=C(C2=C(C3=C1OC(=O)C=C3C4=CC=CC=C4)OC(C=C2)(C)C)OC
InChI
InChI=1S/C26H24O5/c1-6-15(2)22(28)21-23(29-5)17-12-13-26(3,4)31-24(17)20-18(14-19(27)30-25(20)21)16-10-8-7-9-11-16/h6-14H,1-5H3/b15-6+
InChIKey
PMBLOLOJQZPEND-GIDUJCDVSA-N
Compound name
5-methoxy-2,2-dimethyl-6-[(E)-2-methylbut-2-enoyl]-10-phenylpyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

404
Patents

416.16238 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.16966 198.3
[M+Na]+ 439.15160 214.8
[M+NH4]+ 434.19620 206.7
[M+K]+ 455.12554 205.5
[M-H]- 415.15510 205.7
[M+Na-2H]- 437.13705 204.8
[M]+ 416.16183 203.2
[M]- 416.16293 203.2
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