CID 171119389

Boeravinone a methyl ether

Structural Information

Molecular Formula
C19H18O6
SMILES
CC1=C(C=C2C(=C1O)C(=O)C3C(O2)C(OC4=CC=CC=C34)OC)OC
InChI
InChI=1S/C19H18O6/c1-9-12(22-2)8-13-15(16(9)20)17(21)14-10-6-4-5-7-11(10)25-19(23-3)18(14)24-13/h4-8,14,18-20H,1-3H3
InChIKey
VVZRLSBUBGUTQG-UHFFFAOYSA-N
Compound name
11-hydroxy-6,9-dimethoxy-10-methyl-6a,12a-dihydro-6H-chromeno[3,4-b]chromen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.11035 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11763 176.2
[M+Na]+ 365.09957 185.8
[M-H]- 341.10307 183.0
[M+NH4]+ 360.14417 189.9
[M+K]+ 381.07351 184.9
[M+H-H2O]+ 325.10761 168.2
[M+HCOO]- 387.10855 189.8
[M+CH3COO]- 401.12420 187.4
[M+Na-2H]- 363.08502 181.7
[M]+ 342.10980 181.5
[M]- 342.11090 181.5
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.