CID 10337420

Dca-s

Structural Information

Molecular Formula
C19H18O6
SMILES
COC1=CC(=CC(=C1O)/C=C/C2=CC(=C(C=C2)O)OC)/C=C/C(=O)O
InChI
InChI=1S/C19H18O6/c1-24-16-10-12(4-7-15(16)20)3-6-14-9-13(5-8-18(21)22)11-17(25-2)19(14)23/h3-11,20,23H,1-2H3,(H,21,22)/b6-3+,8-5+
InChIKey
SLIMCXCSQXYCGL-JENUQAQBSA-N
Compound name
(E)-3-[4-hydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

21
Patents

342.11035 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11763 180.1
[M+Na]+ 365.09957 192.2
[M+NH4]+ 360.14417 184.4
[M+K]+ 381.07351 186.9
[M-H]- 341.10307 180.8
[M+Na-2H]- 363.08502 184.2
[M]+ 342.10980 181.7
[M]- 342.11090 181.7
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

patents stripe