CID 487168

9-o-methyl-4-hydroxyboeravinone b

Structural Information

Molecular Formula
C18H14O7
SMILES
CC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C(OC4=C3C=CC=C4O)O)OC
InChI
InChI=1S/C18H14O7/c1-7-10(23-2)6-11-13(14(7)20)15(21)12-8-4-3-5-9(19)16(8)25-18(22)17(12)24-11/h3-6,18-20,22H,1-2H3
InChIKey
HTLOGFXLFFWJOX-UHFFFAOYSA-N
Compound name
4,6,11-trihydroxy-9-methoxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

342.07394 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.081216 174.5
[M+Na]+ 365.063158 186.2
[M-H]- 341.066664 180.0
[M+NH4]+ 360.107763 187.1
[M+K]+ 381.037098 184.8
[M+H-H2O]+ 325.071200 167.0
[M+HCOO]- 387.072141 188.3
[M+CH3COO]- 401.087791 186.0
[M+Na-2H]- 363.048606 181.0
[M]+ 342.07339142 180.9
[M]- 342.07448858 180.9
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

No patent data available for this compound.