CID 71695575

Chembl5284038

Structural Information

Molecular Formula
C25H30O5
SMILES
CCC(C)C(=O)C1=C(C(=C(C2=C1OC(=O)CC2C3=CC=CC=C3)O)CCC(C)C)O
InChI
InChI=1S/C25H30O5/c1-5-15(4)22(27)21-24(29)17(12-11-14(2)3)23(28)20-18(13-19(26)30-25(20)21)16-9-7-6-8-10-16/h6-10,14-15,18,28-29H,5,11-13H2,1-4H3
InChIKey
RPPPZDIIFHACRY-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-8-(2-methylbutanoyl)-6-(3-methylbutyl)-4-phenyl-3,4-dihydrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

410.20932 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.21660 200.4
[M+Na]+ 433.19854 212.2
[M+NH4]+ 428.24314 205.7
[M+K]+ 449.17248 206.9
[M-H]- 409.20204 204.0
[M+Na-2H]- 431.18399 202.5
[M]+ 410.20877 203.0
[M]- 410.20987 203.0
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

No patent data available for this compound.