CID 131751185

Trichocarposide

Structural Information

Molecular Formula
C22H24O9
SMILES
C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)COC(=O)/C=C/C3=CC=C(C=C3)O)O)O)O
InChI
InChI=1S/C22H24O9/c23-11-14-3-1-2-4-16(14)30-22-21(28)20(27)19(26)17(31-22)12-29-18(25)10-7-13-5-8-15(24)9-6-13/h1-10,17,19-24,26-28H,11-12H2/b10-7+
InChIKey
ODOVSOIHEQVVMZ-JXMROGBWSA-N
Compound name
[3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

432.14203 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.14931 201.2
[M+Na]+ 455.13125 210.7
[M+NH4]+ 450.17585 203.6
[M+K]+ 471.10519 207.9
[M-H]- 431.13475 203.2
[M+Na-2H]- 453.11670 202.8
[M]+ 432.14148 202.6
[M]- 432.14258 202.6
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