CID 42608024

Kenusanone d

Structural Information

Molecular Formula
C21H22O7
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3O)OC)O)C
InChI
InChI=1S/C21H22O7/c1-10(2)4-5-12-13(22)8-16(25)20-17(26)9-18(28-21(12)20)19-14(23)6-11(27-3)7-15(19)24/h4,6-8,18,22-25H,5,9H2,1-3H3
InChIKey
JMKNGQKSSXRWDQ-UHFFFAOYSA-N
Compound name
2-(2,6-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.13657 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.14385 190.1
[M+Na]+ 409.12579 197.7
[M-H]- 385.12929 193.8
[M+NH4]+ 404.17039 199.2
[M+K]+ 425.09973 194.6
[M+H-H2O]+ 369.13383 182.6
[M+HCOO]- 431.13477 202.2
[M+CH3COO]- 445.15042 217.1
[M+Na-2H]- 407.11124 188.4
[M]+ 386.13602 192.2
[M]- 386.13712 192.2
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.