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]+ 431.133646 200.1
[M+Na]+ 453.115588 207.2
[M-H]- 429.119094 206.6
[M+NH4]+ 448.160193 204.8
[M+K]+ 469.089528 206.1
[M+H-H2O]+ 413.123630 190.7
[M+HCOO]- 475.124571 210.1
[M+CH3COO]- 489.140221 222.7
[M+Na-2H]- 451.101036 200.0
[M]+ 430.12582142 202.2
[M]- 430.12691858 202.2
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.