CID 134816994

Garciosone f

Structural Information

Molecular Formula
C24H24O6
SMILES
CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC4=C(C3=O)C=CC(=C4O)OC)O)C
InChI
InChI=1S/C24H24O6/c1-7-23(2,3)16-20-13(10-11-24(4,5)30-20)18(26)15-17(25)12-8-9-14(28-6)19(27)21(12)29-22(15)16/h7-11,26-27H,1H2,2-6H3
InChIKey
JPRYBVHCPBGQRZ-UHFFFAOYSA-N
Compound name
5,10-dihydroxy-9-methoxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)pyrano[3,2-b]xanthen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

408.1573 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16458 198.3
[M+Na]+ 431.14652 210.5
[M-H]- 407.15002 204.9
[M+NH4]+ 426.19112 211.1
[M+K]+ 447.12046 208.4
[M+H-H2O]+ 391.15456 190.5
[M+HCOO]- 453.15550 211.2
[M+CH3COO]- 467.17115 227.1
[M+Na-2H]- 429.13197 205.2
[M]+ 408.15675 207.4
[M]- 408.15785 207.4
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