CID 42608033

Kushenol w

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
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

literature stripe

Patent stripe

patents stripe