CID 5281671

Morusin

Structural Information

Molecular Formula
C25H24O6
SMILES
CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=C(C=C(C=C4)O)O)C
InChI
InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3
InChIKey
XFFOMNJIDRDDLQ-UHFFFAOYSA-N
Compound name
2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

111
References

750
Patents

420.1573 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.16458 202.7
[M+Na]+ 443.14652 212.7
[M-H]- 419.15002 209.8
[M+NH4]+ 438.19112 212.9
[M+K]+ 459.12046 209.8
[M+H-H2O]+ 403.15456 194.1
[M+HCOO]- 465.15550 214.7
[M+CH3COO]- 479.17115 226.3
[M+Na-2H]- 441.13197 204.6
[M]+ 420.15675 207.6
[M]- 420.15785 207.6
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