CID 471700

2-(2,6-dihydroxyphenyl)-5-hydroxy-8-(2-isopropenyl-5-methyl-hex-4-enyl)-7-methoxy-chromen-4-one

Structural Information

Molecular Formula
C26H28O6
SMILES
CC(=CCC(CC1=C(C=C(C2=C1OC(=CC2=O)C3=C(C=CC=C3O)O)O)OC)C(=C)C)C
InChI
InChI=1S/C26H28O6/c1-14(2)9-10-16(15(3)4)11-17-22(31-5)12-20(29)25-21(30)13-23(32-26(17)25)24-18(27)7-6-8-19(24)28/h6-9,12-13,16,27-29H,3,10-11H2,1-2,4-5H3
InChIKey
RGSFLODTRKOEON-UHFFFAOYSA-N
Compound name
2-(2,6-dihydroxyphenyl)-5-hydroxy-7-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.1886 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.19588 206.3
[M+Na]+ 459.17782 213.0
[M-H]- 435.18132 210.9
[M+NH4]+ 454.22242 213.7
[M+K]+ 475.15176 209.3
[M+H-H2O]+ 419.18586 197.9
[M+HCOO]- 481.18680 219.1
[M+CH3COO]- 495.20245 230.5
[M+Na-2H]- 457.16327 202.4
[M]+ 436.18805 210.7
[M]- 436.18915 210.7
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

No patent data available for this compound.