CID 10342975

Broussonol a

Structural Information

Molecular Formula
C25H24O7
SMILES
CC1(C=CC2=C(O1)C(=CC(=C2)C3=C(C(=O)C4=C(O3)C(=C(C=C4O)O)C(C)(C)C=C)O)O)C
InChI
InChI=1S/C25H24O7/c1-6-24(2,3)18-15(27)11-14(26)17-19(29)20(30)22(31-23(17)18)13-9-12-7-8-25(4,5)32-21(12)16(28)10-13/h6-11,26-28,30H,1H2,2-5H3
InChIKey
PSJXCDCTKCAYCB-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-8-(2-methylbut-3-en-2-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

436.1522 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15948 206.0
[M+Na]+ 459.14142 216.4
[M-H]- 435.14492 212.2
[M+NH4]+ 454.18602 215.0
[M+K]+ 475.11536 214.2
[M+H-H2O]+ 419.14946 198.1
[M+HCOO]- 481.15040 215.9
[M+CH3COO]- 495.16605 228.6
[M+Na-2H]- 457.12687 209.7
[M]+ 436.15165 211.3
[M]- 436.15275 211.3
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