CID 15958511

(2s)-5,7-dihydroxy-2-(7-hydroxy-2,2-dimethyl-chromen-6-yl)chroman-4-one

Structural Information

Molecular Formula
C20H18O6
SMILES
CC1(C=CC2=CC(=C(C=C2O1)O)[C@@H]3CC(=O)C4=C(C=C(C=C4O3)O)O)C
InChI
InChI=1S/C20H18O6/c1-20(2)4-3-10-5-12(13(22)8-16(10)26-20)17-9-15(24)19-14(23)6-11(21)7-18(19)25-17/h3-8,17,21-23H,9H2,1-2H3/t17-/m0/s1
InChIKey
BZOSIWZGPKIHEL-KRWDZBQOSA-N
Compound name
(2S)-5,7-dihydroxy-2-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.11035 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 181.7
[M+Na]+ 377.09957 191.3
[M-H]- 353.10307 188.6
[M+NH4]+ 372.14417 194.4
[M+K]+ 393.07351 189.2
[M+H-H2O]+ 337.10761 173.9
[M+HCOO]- 399.10855 193.7
[M+CH3COO]- 413.12420 192.1
[M+Na-2H]- 375.08502 186.4
[M]+ 354.10980 183.3
[M]- 354.11090 183.3
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.