CID 14018346

Boeravinone a

Structural Information

Molecular Formula
C18H14O6
SMILES
CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4OC3OC)O
InChI
InChI=1S/C18H14O6/c1-8-10(19)7-12-14(15(8)20)16(21)13-9-5-3-4-6-11(9)24-18(22-2)17(13)23-12/h3-7,18-20H,1-2H3
InChIKey
TXTGITRXQUOAJM-UHFFFAOYSA-N
Compound name
9,11-dihydroxy-6-methoxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

24
Patents

326.07904 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08632 170.8
[M+Na]+ 349.06826 182.4
[M-H]- 325.07176 177.4
[M+NH4]+ 344.11286 184.7
[M+K]+ 365.04220 180.8
[M+H-H2O]+ 309.07630 163.2
[M+HCOO]- 371.07724 186.2
[M+CH3COO]- 385.09289 182.9
[M+Na-2H]- 347.05371 178.3
[M]+ 326.07849 177.0
[M]- 326.07959 177.0
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