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

literature stripe

Patent stripe

patents stripe