CID 24786555

Bnc105

Structural Information

Molecular Formula
C20H20O7
SMILES
CC1=C(C2=C(O1)C(=C(C=C2)OC)O)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C20H20O7/c1-10-16(12-6-7-13(23-2)18(22)19(12)27-10)17(21)11-8-14(24-3)20(26-5)15(9-11)25-4/h6-9,22H,1-5H3
InChIKey
RADMJHVVIZTENA-UHFFFAOYSA-N
Compound name
(7-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

139
Patents

372.1209 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12818 184.5
[M+Na]+ 395.11012 198.7
[M+NH4]+ 390.15472 190.2
[M+K]+ 411.08406 195.7
[M-H]- 371.11362 188.2
[M+Na-2H]- 393.09557 188.7
[M]+ 372.12035 187.6
[M]- 372.12145 187.6
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