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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	381.206036	191.4
[M+Na]+	403.187978	201.5
[M-H]-	379.191484	197.4
[M+NH4]+	398.232583	205.1
[M+K]+	419.161918	198.8
[M+H-H2O]+	363.196020	185.4
[M+HCOO]-	425.196961	203.5
[M+CH3COO]-	439.212611	223.8
[M+Na-2H]-	401.173426	197.7
[M]+	380.19821142	197.4
[M]-	380.19930858	197.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.