CID 42607870

5,7-dihydroxy-8-c-(gamma-methyl-gamma-formylallyl)flavanone

Structural Information

Molecular Formula
C20H18O5
SMILES
C/C(=C\CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=CC=C3)/C=O
InChI
InChI=1S/C20H18O5/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/h2-7,9,11,18,22-23H,8,10H2,1H3/b12-7+
InChIKey
ZJSBETNMBPEILM-KPKJPENVSA-N
Compound name
(E)-4-(5,7-dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-2-methylbut-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.11542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 177.9
[M+Na]+ 361.10464 185.1
[M-H]- 337.10814 183.6
[M+NH4]+ 356.14924 189.8
[M+K]+ 377.07858 181.1
[M+H-H2O]+ 321.11268 170.1
[M+HCOO]- 383.11362 193.6
[M+CH3COO]- 397.12927 208.5
[M+Na-2H]- 359.09009 179.4
[M]+ 338.11487 178.3
[M]- 338.11597 178.3
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.