CID 42607537

3,4,2'-trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']chalcone

Structural Information

Molecular Formula
C20H18O5
SMILES
CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)/C=C/C3=CC(=C(C=C3)O)O)C
InChI
InChI=1S/C20H18O5/c1-20(2)10-9-14-18(25-20)8-5-13(19(14)24)15(21)6-3-12-4-7-16(22)17(23)11-12/h3-11,22-24H,1-2H3/b6-3+
InChIKey
PSRXBIVVQYDUHH-ZZXKWVIFSA-N
Compound name
(E)-3-(3,4-dihydroxyphenyl)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.11542 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 178.7
[M+Na]+ 361.10464 187.3
[M-H]- 337.10814 183.8
[M+NH4]+ 356.14924 192.2
[M+K]+ 377.07858 183.3
[M+H-H2O]+ 321.11268 171.6
[M+HCOO]- 383.11362 194.1
[M+CH3COO]- 397.12927 206.2
[M+Na-2H]- 359.09009 181.9
[M]+ 338.11487 179.9
[M]- 338.11597 179.9
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.