CID 42607867

5-hydroxy-7-(3-methyl-2,3-epoxybutoxy)flavanone

Structural Information

Molecular Formula
C20H20O5
SMILES
CC1(C(O1)COC2=CC(=C3C(=O)CC(OC3=C2)C4=CC=CC=C4)O)C
InChI
InChI=1S/C20H20O5/c1-20(2)18(25-20)11-23-13-8-14(21)19-15(22)10-16(24-17(19)9-13)12-6-4-3-5-7-12/h3-9,16,18,21H,10-11H2,1-2H3
InChIKey
KAXKEHROISVDQR-UHFFFAOYSA-N
Compound name
7-[(3,3-dimethyloxiran-2-yl)methoxy]-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13107 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 177.2
[M+Na]+ 363.12029 187.5
[M-H]- 339.12379 188.8
[M+NH4]+ 358.16489 186.0
[M+K]+ 379.09423 186.5
[M+H-H2O]+ 323.12833 169.4
[M+HCOO]- 385.12927 193.9
[M+CH3COO]- 399.14492 188.6
[M+Na-2H]- 361.10574 182.3
[M]+ 340.13052 183.8
[M]- 340.13162 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.