CID 11047986

Apetalolide

Structural Information

Molecular Formula
C26H24O5
SMILES
C/C=C(\C)/C(=O)C1=C2C(=C3C(=C1OC)C(=CC(=O)O3)C4=CC=CC=C4)C=CC(O2)(C)C
InChI
InChI=1S/C26H24O5/c1-6-15(2)22(28)21-24-17(12-13-26(3,4)31-24)23-20(25(21)29-5)18(14-19(27)30-23)16-10-8-7-9-11-16/h6-14H,1-5H3/b15-6+
InChIKey
IGOQXOXLHZFPHW-GIDUJCDVSA-N
Compound name
5-methoxy-8,8-dimethyl-6-[(E)-2-methylbut-2-enoyl]-4-phenylpyrano[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 201.2
[M+Na]+ 439.15160 210.5
[M-H]- 415.15510 211.4
[M+NH4]+ 434.19620 212.9
[M+K]+ 455.12554 208.5
[M+H-H2O]+ 399.15964 191.5
[M+HCOO]- 461.16058 216.6
[M+CH3COO]- 475.17623 230.6
[M+Na-2H]- 437.13705 203.7
[M]+ 416.16183 207.7
[M]- 416.16293 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.