CID 5275227

Leachianone g

Structural Information

Molecular Formula
C20H20O6
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=C(C=C(C=C3)O)O)C
InChI
InChI=1S/C20H20O6/c1-10(2)3-5-13-15(23)8-16(24)19-17(25)9-18(26-20(13)19)12-6-4-11(21)7-14(12)22/h3-4,6-8,18,21-24H,5,9H2,1-2H3/t18-/m0/s1
InChIKey
VBOYLFNGTSLAAZ-SFHVURJKSA-N
Compound name
(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

31
Patents

356.12598 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 183.0
[M+Na]+ 379.11520 190.5
[M-H]- 355.11870 186.6
[M+NH4]+ 374.15980 193.3
[M+K]+ 395.08914 186.6
[M+H-H2O]+ 339.12324 175.8
[M+HCOO]- 401.12418 195.4
[M+CH3COO]- 415.13983 210.2
[M+Na-2H]- 377.10065 182.3
[M]+ 356.12543 182.9
[M]- 356.12653 182.9
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