CID 25799413

Compound np-008299

Structural Information

Molecular Formula
C22H26O10
SMILES
COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI
InChI=1S/C22H26O10/c1-30-13-5-2-11(3-6-13)4-7-14(25)18-15(26)8-12(24)9-16(18)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-3,5-6,8-9,17,19-24,26-29H,4,7,10H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChIKey
GOTAZLUFLPHQJU-MIUGBVLSSA-N
Compound name
1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

450.1526 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.15988 202.5
[M+Na]+ 473.14182 206.2
[M-H]- 449.14532 205.2
[M+NH4]+ 468.18642 205.7
[M+K]+ 489.11576 205.2
[M+H-H2O]+ 433.14986 193.4
[M+HCOO]- 495.15080 211.7
[M+CH3COO]- 509.16645 223.8
[M+Na-2H]- 471.12727 198.5
[M]+ 450.15205 203.8
[M]- 450.15315 203.8
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.