CID 67261902

1,3,8-trihydroxy-4-methyl-2,7-diprenylxanthone

Structural Information

Molecular Formula
C24H26O5
SMILES
CC1=C(C(=C(C2=C1OC3=C(C2=O)C(=C(C=C3)CC=C(C)C)O)O)CC=C(C)C)O
InChI
InChI=1S/C24H26O5/c1-12(2)6-8-15-9-11-17-18(21(15)26)23(28)19-22(27)16(10-7-13(3)4)20(25)14(5)24(19)29-17/h6-7,9,11,25-27H,8,10H2,1-5H3
InChIKey
QPSZSDVSMAQDTD-UHFFFAOYSA-N
Compound name
1,3,8-trihydroxy-4-methyl-2,7-bis(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

394.178 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.18528 195.7
[M+Na]+ 417.16722 205.8
[M-H]- 393.17072 199.1
[M+NH4]+ 412.21182 207.0
[M+K]+ 433.14116 200.9
[M+H-H2O]+ 377.17526 188.7
[M+HCOO]- 439.17620 209.8
[M+CH3COO]- 453.19185 223.6
[M+Na-2H]- 415.15267 194.7
[M]+ 394.17745 201.8
[M]- 394.17855 201.8
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