CID 5487268

Fremontin

Structural Information

Molecular Formula
C20H18O6
SMILES
CC(C)(C=C)C1=C(C=C(C(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O)O
InChI
InChI=1S/C20H18O6/c1-4-20(2,3)13-7-11(14(22)8-15(13)23)12-9-26-17-6-10(21)5-16(24)18(17)19(12)25/h4-9,21-24H,1H2,2-3H3
InChIKey
XWUWFNSZQDCXCD-UHFFFAOYSA-N
Compound name
3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

354.11035 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 181.7
[M+Na]+ 377.09957 191.7
[M-H]- 353.10307 186.4
[M+NH4]+ 372.14417 192.3
[M+K]+ 393.07351 187.7
[M+H-H2O]+ 337.10761 174.8
[M+HCOO]- 399.10855 196.4
[M+CH3COO]- 413.12420 209.7
[M+Na-2H]- 375.08502 185.1
[M]+ 354.10980 184.6
[M]- 354.11090 184.6
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