CID 131752144

145213-58-7

Structural Information

Molecular Formula
C25H34O10
SMILES
COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)COC3C(C(C(CO3)O)O)O)O
InChI
InChI=1S/C25H34O10/c1-32-21-9-14(3-5-18(21)27)7-16(11-26)17(8-15-4-6-19(28)22(10-15)33-2)12-34-25-24(31)23(30)20(29)13-35-25/h3-6,9-10,16-17,20,23-31H,7-8,11-13H2,1-2H3
InChIKey
KAXGCKCCFQIHTO-UHFFFAOYSA-N
Compound name
2-[4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

494.2152 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.22248 215.5
[M+Na]+ 517.20442 216.3
[M-H]- 493.20792 217.2
[M+NH4]+ 512.24902 216.5
[M+K]+ 533.17836 216.0
[M+H-H2O]+ 477.21246 205.8
[M+HCOO]- 539.21340 222.5
[M+CH3COO]- 553.22905 232.4
[M+Na-2H]- 515.18987 209.7
[M]+ 494.21465 217.3
[M]- 494.21575 217.3
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.