CID 5481239

Cycloflavanone

Structural Information

Molecular Formula
C20H18O5
SMILES
CC1(CCC2=C(O1)C=CC(=C2)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)C
InChI
InChI=1S/C20H18O5/c1-20(2)6-5-12-7-11(3-4-16(12)25-20)17-10-15(23)19-14(22)8-13(21)9-18(19)24-17/h3-4,7-10,21-22H,5-6H2,1-2H3
InChIKey
HNKKOJDTTVBCBL-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.11542 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 177.8
[M+Na]+ 361.10464 188.3
[M-H]- 337.10814 186.1
[M+NH4]+ 356.14924 191.8
[M+K]+ 377.07858 185.9
[M+H-H2O]+ 321.11268 169.6
[M+HCOO]- 383.11362 192.7
[M+CH3COO]- 397.12927 189.2
[M+Na-2H]- 359.09009 184.2
[M]+ 338.11487 180.5
[M]- 338.11597 180.5
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.