CID 10071695

Cannflavin a

Structural Information

Molecular Formula
C26H28O6
SMILES
CC(=CCC/C(=C/CC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)OC)O)/C)C
InChI
InChI=1S/C26H28O6/c1-15(2)6-5-7-16(3)8-10-18-20(28)13-24-25(26(18)30)21(29)14-22(32-24)17-9-11-19(27)23(12-17)31-4/h6,8-9,11-14,27-28,30H,5,7,10H2,1-4H3/b16-8+
InChIKey
MWGFICMOCSIQMV-LZYBPNLTSA-N
Compound name
6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

497
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 207.3
[M+Na]+ 459.17782 214.4
[M-H]- 435.18132 211.9
[M+NH4]+ 454.22242 214.9
[M+K]+ 475.15176 210.0
[M+H-H2O]+ 419.18586 198.7
[M+HCOO]- 481.18680 221.1
[M+CH3COO]- 495.20245 228.9
[M+Na-2H]- 457.16327 204.4
[M]+ 436.18805 212.2
[M]- 436.18915 212.2
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.