CID 46894020

1,4,6-trihydroxy-3-methoxy-2-(3-methyl-2-butenyl)-5-(1,1-dimethyl-prop-2-enyl)xanthone

Structural Information

Molecular Formula
C24H26O6
SMILES
CC(=CCC1=C(C2=C(C(=C1OC)O)OC3=C(C2=O)C=CC(=C3C(C)(C)C=C)O)O)C
InChI
InChI=1S/C24H26O6/c1-7-24(4,5)17-15(25)11-10-13-18(26)16-19(27)14(9-8-12(2)3)22(29-6)20(28)23(16)30-21(13)17/h7-8,10-11,25,27-28H,1,9H2,2-6H3
InChIKey
RHYDKWXOGNKPQK-UHFFFAOYSA-N
Compound name
1,4,6-trihydroxy-3-methoxy-5-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

410.17294 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.18022 198.8
[M+Na]+ 433.16216 209.1
[M-H]- 409.16566 202.2
[M+NH4]+ 428.20676 209.3
[M+K]+ 449.13610 205.2
[M+H-H2O]+ 393.17020 191.9
[M+HCOO]- 455.17114 212.3
[M+CH3COO]- 469.18679 226.1
[M+Na-2H]- 431.14761 200.4
[M]+ 410.17239 206.5
[M]- 410.17349 206.5
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

No patent data available for this compound.