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]+ 343.08122 174.5
[M+Na]+ 365.06316 186.2
[M-H]- 341.06666 180.0
[M+NH4]+ 360.10776 187.1
[M+K]+ 381.03710 184.8
[M+H-H2O]+ 325.07120 167.0
[M+HCOO]- 387.07214 188.3
[M+CH3COO]- 401.08779 186.0
[M+Na-2H]- 363.04861 181.0
[M]+ 342.07339 180.9
[M]- 342.07449 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.