CID 36433

Bikaverin

Structural Information

Molecular Formula
C20H14O8
SMILES
CC1=CC(=CC2=C1C(=O)C3=C(O2)C(=O)C4=C(C3=O)C(=CC(=C4O)OC)O)OC
InChI
InChI=1S/C20H14O8/c1-7-4-8(26-2)5-10-12(7)17(23)15-18(24)13-9(21)6-11(27-3)16(22)14(13)19(25)20(15)28-10/h4-6,21-22H,1-3H3
InChIKey
QXNACSREWQXWCV-UHFFFAOYSA-N
Compound name
7,10-dihydroxy-3,8-dimethoxy-1-methylbenzo[b]xanthene-6,11,12-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

44
References

91
Patents

382.06888 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.07616 184.4
[M+Na]+ 405.05810 200.1
[M+NH4]+ 400.10270 190.3
[M+K]+ 421.03204 194.8
[M-H]- 381.06160 187.2
[M+Na-2H]- 403.04355 185.9
[M]+ 382.06833 187.4
[M]- 382.06943 187.4
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