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
2
Annotation Hits

8
References

418
Patents

416.16238 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.169656 201.2
[M+Na]+ 439.151598 210.5
[M-H]- 415.155104 211.4
[M+NH4]+ 434.196203 212.9
[M+K]+ 455.125538 208.5
[M+H-H2O]+ 399.159640 191.5
[M+HCOO]- 461.160581 216.6
[M+CH3COO]- 475.176231 230.6
[M+Na-2H]- 437.137046 203.7
[M]+ 416.16183142 207.7
[M]- 416.16292858 207.7
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