CID 21721909

Rubraflavone a

Structural Information

Molecular Formula
C25H26O5
SMILES
CC(=CCC/C(=C/CC1=C(OC2=C(C1=O)C=CC(=C2)O)C3=C(C=C(C=C3)O)O)/C)C
InChI
InChI=1S/C25H26O5/c1-15(2)5-4-6-16(3)7-10-21-24(29)20-12-9-18(27)14-23(20)30-25(21)19-11-8-17(26)13-22(19)28/h5,7-9,11-14,26-28H,4,6,10H2,1-3H3/b16-7+
InChIKey
VEQHJLTWOODSMA-FRKPEAEDSA-N
Compound name
2-(2,4-dihydroxyphenyl)-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

406.178 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18528 200.1
[M+Na]+ 429.16722 207.1
[M-H]- 405.17072 204.6
[M+NH4]+ 424.21182 208.8
[M+K]+ 445.14116 201.8
[M+H-H2O]+ 389.17526 191.8
[M+HCOO]- 451.17620 214.2
[M+CH3COO]- 465.19185 222.2
[M+Na-2H]- 427.15267 198.2
[M]+ 406.17745 202.8
[M]- 406.17855 202.8
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

patents stripe