CID 14482999

(+)-echinoisoflavanone

Structural Information

Molecular Formula
C22H24O7
SMILES
CC(=CCC1=C(C=CC(=C1OC)C2(COC3=CC(=CC(=C3C2=O)O)O)O)OC)C
InChI
InChI=1S/C22H24O7/c1-12(2)5-6-14-17(27-3)8-7-15(20(14)28-4)22(26)11-29-18-10-13(23)9-16(24)19(18)21(22)25/h5,7-10,23-24,26H,6,11H2,1-4H3
InChIKey
BNNYBQXTFXFCME-UHFFFAOYSA-N
Compound name
3-[2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-2H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1522 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.15948 193.1
[M+Na]+ 423.14142 200.9
[M-H]- 399.14492 198.0
[M+NH4]+ 418.18602 204.2
[M+K]+ 439.11536 198.7
[M+H-H2O]+ 383.14946 185.8
[M+HCOO]- 445.15040 206.5
[M+CH3COO]- 459.16605 220.0
[M+Na-2H]- 421.12687 193.6
[M]+ 400.15165 197.4
[M]- 400.15275 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.