CID 5494866

Isowighteone

Structural Information

Molecular Formula
C20H18O5
SMILES
CC(=CCC1=C(C=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O)C
InChI
InChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3
InChIKey
SWDSVBNAMCDHTF-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

97
Patents

338.11542 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.122696 178.4
[M+Na]+ 361.104638 187.7
[M-H]- 337.108144 183.9
[M+NH4]+ 356.149243 190.2
[M+K]+ 377.078578 183.4
[M+H-H2O]+ 321.112680 170.8
[M+HCOO]- 383.113621 195.1
[M+CH3COO]- 397.129271 207.7
[M+Na-2H]- 359.090086 180.4
[M]+ 338.11487142 181.0
[M]- 338.11596858 181.0
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