CID 4484591

2-methyl-6-[[3,4,5-trihydroxy-6-(4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol

Structural Information

Molecular Formula
C21H30O10
SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)CC=C)O)O)O)O)O)O
InChI
InChI=1S/C21H30O10/c1-3-4-11-5-7-12(8-6-11)30-21-19(27)17(25)15(23)13(31-21)9-28-20-18(26)16(24)14(22)10(2)29-20/h3,5-8,10,13-27H,1,4,9H2,2H3
InChIKey
DAELTTGCCPRYTP-UHFFFAOYSA-N
Compound name
2-methyl-6-[[3,4,5-trihydroxy-6-(4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

442.1839 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.19118 204.6
[M+Na]+ 465.17312 207.3
[M-H]- 441.17662 207.3
[M+NH4]+ 460.21772 207.1
[M+K]+ 481.14706 206.9
[M+H-H2O]+ 425.18116 196.1
[M+HCOO]- 487.18210 209.8
[M+CH3COO]- 501.19775 223.4
[M+Na-2H]- 463.15857 199.6
[M]+ 442.18335 203.3
[M]- 442.18445 203.3
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

patents stripe