CID 42607869

5,7-dihydroxy-8-c-(4-hydroxy-3-methyl-2-butenyl)flavanone

Structural Information

Molecular Formula
C20H20O5
SMILES
C/C(=C\CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=CC=C3)/CO
InChI
InChI=1S/C20H20O5/c1-12(11-21)7-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)13-5-3-2-4-6-13/h2-7,9,18,21-23H,8,10-11H2,1H3/b12-7+
InChIKey
NJZDBTXUFHSOSG-KPKJPENVSA-N
Compound name
5,7-dihydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]-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 179.6
[M+Na]+ 363.12029 186.1
[M-H]- 339.12379 183.9
[M+NH4]+ 358.16489 190.8
[M+K]+ 379.09423 181.9
[M+H-H2O]+ 323.12833 172.1
[M+HCOO]- 385.12927 193.6
[M+CH3COO]- 399.14492 207.0
[M+Na-2H]- 361.10574 180.6
[M]+ 340.13052 179.0
[M]- 340.13162 179.0
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.