CID 25244020

4-coumaroyl-4'-hydroxyphenyllactate

Structural Information

Molecular Formula
C18H16O6
SMILES
C1=CC(=CC=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC=C(C=C2)O)O
InChI
InChI=1S/C18H16O6/c19-14-6-1-12(2-7-14)5-10-17(21)24-16(18(22)23)11-13-3-8-15(20)9-4-13/h1-10,16,19-20H,11H2,(H,22,23)/b10-5+/t16-/m1/s1
InChIKey
LVPGCTXCBGXZHO-ZWIJEDICSA-N
Compound name
(2R)-3-(4-hydroxyphenyl)-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

328.0947 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 175.2
[M+Na]+ 351.08392 185.6
[M+NH4]+ 346.12852 179.4
[M+K]+ 367.05786 181.7
[M-H]- 327.08742 175.3
[M+Na-2H]- 349.06937 179.5
[M]+ 328.09415 176.3
[M]- 328.09525 176.3
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.