CID 131752597

2-[4-[(z)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Structural Information

Molecular Formula
C21H24O8
SMILES
COC1=CC(=CC(=C1)O)/C=C\C2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C21H24O8/c1-27-16-9-13(8-14(23)10-16)3-2-12-4-6-15(7-5-12)28-21-20(26)19(25)18(24)17(11-22)29-21/h2-10,17-26H,11H2,1H3/b3-2-
InChIKey
IIISUZGWBIPYEJ-IHWYPQMZSA-N
Compound name
2-[4-[(Z)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.14713 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15441 194.1
[M+Na]+ 427.13635 199.1
[M-H]- 403.13985 198.1
[M+NH4]+ 422.18095 200.2
[M+K]+ 443.11029 196.2
[M+H-H2O]+ 387.14439 185.3
[M+HCOO]- 449.14533 206.0
[M+CH3COO]- 463.16098 214.4
[M+Na-2H]- 425.12180 192.3
[M]+ 404.14658 194.0
[M]- 404.14768 194.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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