CID 14187085

Citflavanone

Structural Information

Molecular Formula
C20H18O5
SMILES
CC1(C=CC2=C(O1)C=C(C3=C2OC(CC3=O)C4=CC=C(C=C4)O)O)C
InChI
InChI=1S/C20H18O5/c1-20(2)8-7-13-17(25-20)10-15(23)18-14(22)9-16(24-19(13)18)11-3-5-12(21)6-4-11/h3-8,10,16,21,23H,9H2,1-2H3
InChIKey
JTJIFFUHXHGAOQ-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

15
Patents

338.11542 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 178.2
[M+Na]+ 361.10464 187.6
[M-H]- 337.10814 186.0
[M+NH4]+ 356.14924 192.0
[M+K]+ 377.07858 185.3
[M+H-H2O]+ 321.11268 170.0
[M+HCOO]- 383.11362 191.6
[M+CH3COO]- 397.12927 189.0
[M+Na-2H]- 359.09009 183.7
[M]+ 338.11487 179.4
[M]- 338.11597 179.4
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.