CID 44257320

Cajaisoflavone

Structural Information

Molecular Formula

C₂₆H₂₆O₇

SMILES

CC(=CCC1=C(C(=C(C=C1O)OC)C2=COC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O)O)C

InChI

InChI=1S/C26H26O7/c1-13(2)6-7-14-17(27)10-19(31-5)21(23(14)28)16-12-32-20-11-18-15(8-9-26(3,4)33-18)24(29)22(20)25(16)30/h6,8-12,27-29H,7H2,1-5H3

InChIKey

ZCGBVHBPKBFGFW-UHFFFAOYSA-N

Compound name

7-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 450.16785 Da
Monoisotopic Mass: 5.5
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]+	451.175126	210.0
[M+Na]+	473.157068	220.0
[M-H]-	449.160574	217.1
[M+NH4]+	468.201673	219.0
[M+K]+	489.131008	218.0
[M+H-H2O]+	433.165110	201.2
[M+HCOO]-	495.166051	221.7
[M+CH3COO]-	509.181701	233.1
[M+Na-2H]-	471.142516	211.0
[M]+	450.16730142	217.0
[M]-	450.16839858	217.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.