CID 6448155

82885-73-2

Structural Information

Molecular Formula
C20H18O4
SMILES
C/C(=C\C(=O)O)/C1=C(C=CC(=C1)C(=O)/C=C/C2=CC=CC=C2)OC
InChI
InChI=1S/C20H18O4/c1-14(12-20(22)23)17-13-16(9-11-19(17)24-2)18(21)10-8-15-6-4-3-5-7-15/h3-13H,1-2H3,(H,22,23)/b10-8+,14-12+
InChIKey
OKCNUCLRBVLDQF-SHQVAAIUSA-N
Compound name
(E)-3-[2-methoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl]but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1205 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12778 176.2
[M+Na]+ 345.10972 188.3
[M+NH4]+ 340.15432 181.7
[M+K]+ 361.08366 182.2
[M-H]- 321.11322 178.1
[M+Na-2H]- 343.09517 182.1
[M]+ 322.11995 178.2
[M]- 322.12105 178.2
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.