CID 10760434

221150-19-2

Structural Information

Molecular Formula
C20H16O6
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)O)CO
InChI
InChI=1S/C20H16O6/c1-20(10-21)7-6-13-15(26-20)8-16-17(18(13)23)19(24)14(9-25-16)11-2-4-12(22)5-3-11/h2-9,21-23H,10H2,1H3
InChIKey
OVLQTBOVUNAVGU-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(hydroxymethyl)-7-(4-hydroxyphenyl)-2-methylpyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

352.0947 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.101976 180.4
[M+Na]+ 375.083918 191.1
[M-H]- 351.087424 187.8
[M+NH4]+ 370.128523 193.1
[M+K]+ 391.057858 188.7
[M+H-H2O]+ 335.091960 172.2
[M+HCOO]- 397.092901 195.3
[M+CH3COO]- 411.108551 191.5
[M+Na-2H]- 373.069366 187.5
[M]+ 352.09415142 184.3
[M]- 352.09524858 184.3
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

patents stripe