CID 6475221

[(1r,3r)-3-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxycyclohexyl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Structural Information

Molecular Formula
C24H24O8
SMILES
C1C[C@H](C[C@@H](C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C24H24O8/c25-19-8-4-15(12-21(19)27)6-10-23(29)31-17-2-1-3-18(14-17)32-24(30)11-7-16-5-9-20(26)22(28)13-16/h4-13,17-18,25-28H,1-3,14H2/b10-6+,11-7+/t17-,18-/m1/s1
InChIKey
HALOOJXOGWGVKR-JMRJQHPDSA-N
Compound name
[(1R,3R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

440.14713 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.15441 201.7
[M+Na]+ 463.13635 204.2
[M-H]- 439.13985 205.2
[M+NH4]+ 458.18095 207.3
[M+K]+ 479.11029 199.9
[M+H-H2O]+ 423.14439 192.6
[M+HCOO]- 485.14533 213.7
[M+CH3COO]- 499.16098 220.1
[M+Na-2H]- 461.12180 197.3
[M]+ 440.14658 199.1
[M]- 440.14768 199.1
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

No patent data available for this compound.