CID 485188

325791-19-3

Structural Information

Molecular Formula
C26H32O10
SMILES
COC1=C(C=C(C=C1)C2=CC3=C(O2)C(=CC(=C3)CCCO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)OC
InChI
InChI=1S/C26H32O10/c1-31-17-7-6-15(11-19(17)32-2)18-12-16-9-14(10-20(33-3)25(16)35-18)5-4-8-34-26-24(30)23(29)22(28)21(13-27)36-26/h6-7,9-12,21-24,26-30H,4-5,8,13H2,1-3H3/t21-,22-,23+,24-,26-/m1/s1
InChIKey
NDBXVWJEZUKCIS-HROMDODWSA-N
Compound name
(2R,3R,4S,5S,6R)-2-[3-[2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran-5-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

504.19955 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.20683 218.0
[M+Na]+ 527.18877 223.6
[M-H]- 503.19227 225.6
[M+NH4]+ 522.23337 222.3
[M+K]+ 543.16271 223.8
[M+H-H2O]+ 487.19681 209.4
[M+HCOO]- 549.19775 230.4
[M+CH3COO]- 563.21340 237.6
[M+Na-2H]- 525.17422 215.5
[M]+ 504.19900 227.3
[M]- 504.20010 227.3
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.