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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.17513 210.0
[M+Na]+ 473.15707 220.0
[M-H]- 449.16057 217.1
[M+NH4]+ 468.20167 219.0
[M+K]+ 489.13101 218.0
[M+H-H2O]+ 433.16511 201.2
[M+HCOO]- 495.16605 221.7
[M+CH3COO]- 509.18170 233.1
[M+Na-2H]- 471.14252 211.0
[M]+ 450.16730 217.0
[M]- 450.16840 217.0
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.