CID 5465516

Xanthone 4

Structural Information

Molecular Formula
C23H22O5
SMILES
CC(=CCCC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC=C4O)O)C)C
InChI
InChI=1S/C23H22O5/c1-13(2)6-5-10-23(3)11-9-14-18(28-23)12-17(25)19-20(26)15-7-4-8-16(24)21(15)27-22(14)19/h4,6-9,11-12,24-25H,5,10H2,1-3H3
InChIKey
LVANTWLBTIEHSX-UHFFFAOYSA-N
Compound name
6,11-dihydroxy-3-methyl-3-(4-methylpent-3-enyl)pyrano[2,3-c]xanthen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

378.14673 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.15401 189.2
[M+Na]+ 401.13595 205.6
[M+NH4]+ 396.18055 198.0
[M+K]+ 417.10989 196.2
[M-H]- 377.13945 194.7
[M+Na-2H]- 399.12140 193.7
[M]+ 378.14618 193.5
[M]- 378.14728 193.5
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

patents stripe