CID 121232948

2,3-dehydrosilychristin

Structural Information

Molecular Formula
C25H20O10
SMILES
COC1=C(C=CC(=C1)[C@H]2[C@@H](C3=C(O2)C(=CC(=C3)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)O)O)CO)O
InChI
InChI=1S/C25H20O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,23,26-30,32H,9H2,1H3/t14-,23+/m1/s1
InChIKey
SFNRHEPTJDJBPD-FATZIPQQSA-N
Compound name
3,5,7-trihydroxy-2-[(2R,3S)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1
Patents

480.10565 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.11293 210.3
[M+Na]+ 503.09487 219.2
[M-H]- 479.09837 217.9
[M+NH4]+ 498.13947 215.3
[M+K]+ 519.06881 218.2
[M+H-H2O]+ 463.10291 202.4
[M+HCOO]- 525.10385 220.8
[M+CH3COO]- 539.11950 218.3
[M+Na-2H]- 501.08032 209.5
[M]+ 480.10510 216.4
[M]- 480.10620 216.4
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.