CID 14162675

1,6-dihydroxy-3-methoxy-2-prenylxanthone

Structural Information

Molecular Formula
C19H18O5
SMILES
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=C(C=C3)O)OC)C
InChI
InChI=1S/C19H18O5/c1-10(2)4-6-12-14(23-3)9-16-17(18(12)21)19(22)13-7-5-11(20)8-15(13)24-16/h4-5,7-9,20-21H,6H2,1-3H3
InChIKey
QKSNMZWDGXOPMT-UHFFFAOYSA-N
Compound name
1,6-dihydroxy-3-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

326.11542 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12270 173.6
[M+Na]+ 349.10464 184.8
[M-H]- 325.10814 178.5
[M+NH4]+ 344.14924 188.0
[M+K]+ 365.07858 181.2
[M+H-H2O]+ 309.11268 166.5
[M+HCOO]- 371.11362 191.9
[M+CH3COO]- 385.12927 208.4
[M+Na-2H]- 347.09009 178.3
[M]+ 326.11487 180.3
[M]- 326.11597 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.