CID 10871979

Brosimacutin f

Structural Information

Molecular Formula
C20H20O6
SMILES
CC(C)(C(CC1=C(C=CC2=C1OC(=CC2=O)C3=CC=C(C=C3)O)O)O)O
InChI
InChI=1S/C20H20O6/c1-20(2,25)18(24)9-14-15(22)8-7-13-16(23)10-17(26-19(13)14)11-3-5-12(21)6-4-11/h3-8,10,18,21-22,24-25H,9H2,1-2H3
InChIKey
ANTDQLWDPMSOHB-UHFFFAOYSA-N
Compound name
8-(2,3-dihydroxy-3-methylbutyl)-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.12598 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 182.0
[M+Na]+ 379.11520 189.6
[M-H]- 355.11870 185.9
[M+NH4]+ 374.15980 192.0
[M+K]+ 395.08914 186.6
[M+H-H2O]+ 339.12324 174.8
[M+HCOO]- 401.12418 195.6
[M+CH3COO]- 415.13983 208.5
[M+Na-2H]- 377.10065 185.6
[M]+ 356.12543 184.1
[M]- 356.12653 184.1
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.