CID 5379349

5-o-methyllupiwighteone

Structural Information

Molecular Formula
C21H20O5
SMILES
CC(=CCC1=C2C(=C(C=C1O)OC)C(=O)C(=CO2)C3=CC=C(C=C3)O)C
InChI
InChI=1S/C21H20O5/c1-12(2)4-9-15-17(23)10-18(25-3)19-20(24)16(11-26-21(15)19)13-5-7-14(22)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3
InChIKey
YYJKPTFNQQMOBK-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13107 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 182.6
[M+Na]+ 375.12029 191.9
[M-H]- 351.12379 189.2
[M+NH4]+ 370.16489 194.5
[M+K]+ 391.09423 188.2
[M+H-H2O]+ 335.12833 174.5
[M+HCOO]- 397.12927 200.5
[M+CH3COO]- 411.14492 212.8
[M+Na-2H]- 373.10574 184.5
[M]+ 352.13052 187.2
[M]- 352.13162 187.2
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.