CID 14213975

Kinocoumarin

Structural Information

Molecular Formula
C24H28O4
SMILES
CC1(C(=CC2=C(O1)C(=C3C(=C2O)C=CC(=O)O3)C(C)(C)C=C)C(C)(C)C=C)C
InChI
InChI=1S/C24H28O4/c1-9-22(3,4)16-13-15-19(26)14-11-12-17(25)27-20(14)18(23(5,6)10-2)21(15)28-24(16,7)8/h9-13,26H,1-2H2,3-8H3
InChIKey
OPQNNWVPHFUNEH-UHFFFAOYSA-N
Compound name
5-hydroxy-2,2-dimethyl-3,10-bis(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.19876 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20604 191.4
[M+Na]+ 403.18798 201.5
[M-H]- 379.19148 197.4
[M+NH4]+ 398.23258 205.1
[M+K]+ 419.16192 198.8
[M+H-H2O]+ 363.19602 185.4
[M+HCOO]- 425.19696 203.5
[M+CH3COO]- 439.21261 223.8
[M+Na-2H]- 401.17343 197.7
[M]+ 380.19821 197.4
[M]- 380.19931 197.4
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

No patent data available for this compound.