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

2
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

literature stripe

Patent stripe

patents stripe