CID 42608023

Kenusanone e

Structural Information

Molecular Formula
C22H24O7
SMILES
CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=C(C=C(C=C3O)OC)O)O)OC)C
InChI
InChI=1S/C22H24O7/c1-11(2)5-6-13-18(28-4)9-16(25)21-17(26)10-19(29-22(13)21)20-14(23)7-12(27-3)8-15(20)24/h5,7-9,19,23-25H,6,10H2,1-4H3
InChIKey
SABJGAJVBSRRQW-UHFFFAOYSA-N
Compound name
2-(2,6-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1522 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.15948 194.0
[M+Na]+ 423.14142 201.6
[M-H]- 399.14492 198.9
[M+NH4]+ 418.18602 203.3
[M+K]+ 439.11536 199.1
[M+H-H2O]+ 383.14946 186.1
[M+HCOO]- 445.15040 207.4
[M+CH3COO]- 459.16605 222.0
[M+Na-2H]- 421.12687 192.3
[M]+ 400.15165 198.2
[M]- 400.15275 198.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.