CID 5317480

Lupiwighteone

Structural Information

Molecular Formula
C20H18O5
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=CC=C(C=C3)O)C
InChI
InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3
InChIKey
YGCCASGFIOIXIN-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

193
Patents

338.11542 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 178.6
[M+Na]+ 361.10464 193.7
[M+NH4]+ 356.14924 184.9
[M+K]+ 377.07858 187.5
[M-H]- 337.10814 182.8
[M+Na-2H]- 359.09009 183.7
[M]+ 338.11487 182.0
[M]- 338.11597 182.0
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