CID 11349817

Licoflavone b

Structural Information

Molecular Formula
C25H26O4
SMILES
CC(=CCC1=CC2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)CC=C(C)C)C
InChI
InChI=1S/C25H26O4/c1-15(2)5-7-17-11-19(9-10-21(17)26)24-14-23(28)20-12-18(8-6-16(3)4)22(27)13-25(20)29-24/h5-6,9-14,26-27H,7-8H2,1-4H3
InChIKey
GLDVIKFETPAZNV-UHFFFAOYSA-N
Compound name
7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

17
Patents

390.1831 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19038 196.6
[M+Na]+ 413.17232 204.3
[M-H]- 389.17582 202.5
[M+NH4]+ 408.21692 206.9
[M+K]+ 429.14626 199.0
[M+H-H2O]+ 373.18036 188.3
[M+HCOO]- 435.18130 212.1
[M+CH3COO]- 449.19695 222.0
[M+Na-2H]- 411.15777 195.1
[M]+ 390.18255 199.7
[M]- 390.18365 199.7
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

patents stripe