CID 157010107

[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Structural Information

Molecular Formula
C22H24O11
SMILES
C1=CC(=C(C=C1COC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C22H24O11/c23-9-17-19(28)20(29)21(30)22(33-17)32-16-5-2-12(8-15(16)26)10-31-18(27)6-3-11-1-4-13(24)14(25)7-11/h1-8,17,19-26,28-30H,9-10H2/b6-3+
InChIKey
VTHLSAOVZTYBRV-ZZXKWVIFSA-N
Compound name
[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.13187 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.13915 206.9
[M+Na]+ 487.12109 215.0
[M+NH4]+ 482.16569 207.4
[M+K]+ 503.09503 214.4
[M-H]- 463.12459 207.1
[M+Na-2H]- 485.10654 206.1
[M]+ 464.13132 207.4
[M]- 464.13242 207.4
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.