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]+ 323.127776 175.5
[M+Na]+ 345.109718 181.0
[M-H]- 321.113224 180.4
[M+NH4]+ 340.154323 188.4
[M+K]+ 361.083658 176.5
[M+H-H2O]+ 305.117760 167.6
[M+HCOO]- 367.118701 194.9
[M+CH3COO]- 381.134351 206.1
[M+Na-2H]- 343.095166 174.9
[M]+ 322.11995142 176.4
[M]- 322.12104858 176.4
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.