CID 24835340

102582-41-2

Structural Information

Molecular Formula
C22H22O9
SMILES
COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)C4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C22H22O9/c1-29-12-6-14(24)17-15(7-12)30-9-13(18(17)25)10-2-4-11(5-3-10)22-21(28)20(27)19(26)16(8-23)31-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22?/m1/s1
InChIKey
NVDQNVYMFRSNDL-SQGFOMTPSA-N
Compound name
5-hydroxy-7-methoxy-3-[4-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.12637 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.13365 200.2
[M+Na]+ 453.11559 213.4
[M+NH4]+ 448.16019 204.2
[M+K]+ 469.08953 209.9
[M-H]- 429.11909 205.6
[M+Na-2H]- 451.10104 202.3
[M]+ 430.12582 203.4
[M]- 430.12692 203.4
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.