CID 44260098

Lisetin

Structural Information

Molecular Formula
C21H18O7
SMILES
CC(=CCC1=C2C(=CC(=C1O)OC)C3=C(O2)OC4=CC(=CC(=C4C3=O)O)O)C
InChI
InChI=1S/C21H18O7/c1-9(2)4-5-11-18(24)15(26-3)8-12-16-19(25)17-13(23)6-10(22)7-14(17)27-21(16)28-20(11)12/h4,6-8,22-24H,5H2,1-3H3
InChIKey
KOHGMAFQELVQRG-UHFFFAOYSA-N
Compound name
1,3,8-trihydroxy-9-methoxy-7-(3-methylbut-2-enyl)-[1]benzofuro[2,3-b]chromen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

382.10526 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.11254 187.6
[M+Na]+ 405.09448 200.5
[M-H]- 381.09798 193.9
[M+NH4]+ 400.13908 200.7
[M+K]+ 421.06842 198.0
[M+H-H2O]+ 365.10252 181.6
[M+HCOO]- 427.10346 204.5
[M+CH3COO]- 441.11911 217.8
[M+Na-2H]- 403.07993 191.3
[M]+ 382.10471 198.5
[M]- 382.10581 198.5
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.