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

7
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

literature stripe

Patent stripe

patents stripe