CID 14259062

Artobilichromene

Structural Information

Molecular Formula
C25H24O7
SMILES
CC(=CCC1=C(C(=CC(=C1O)O)C2=CC(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)O)C
InChI
InChI=1S/C25H24O7/c1-12(2)5-6-14-22(28)15(9-17(27)23(14)29)18-10-16(26)21-20(31-18)11-19-13(24(21)30)7-8-25(3,4)32-19/h5,7-11,27-30H,6H2,1-4H3
InChIKey
PLAGFMDVHDUWRB-UHFFFAOYSA-N
Compound name
5-hydroxy-2,2-dimethyl-8-[2,4,5-trihydroxy-3-(3-methylbut-2-enyl)phenyl]pyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

436.1522 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15948 206.1
[M+Na]+ 459.14142 216.1
[M-H]- 435.14492 212.2
[M+NH4]+ 454.18602 215.0
[M+K]+ 475.11536 213.6
[M+H-H2O]+ 419.14946 197.8
[M+HCOO]- 481.15040 216.7
[M+CH3COO]- 495.16605 228.4
[M+Na-2H]- 457.12687 207.3
[M]+ 436.15165 211.2
[M]- 436.15275 211.2
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.