CID 6448159

82885-77-6

Structural Information

Molecular Formula
C20H18O5
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2)OC)/C=C/C(=O)O
InChI
InChI=1S/C20H18O5/c1-24-17-8-3-14(4-9-17)5-10-18(21)15-6-11-19(25-2)16(13-15)7-12-20(22)23/h3-13H,1-2H3,(H,22,23)/b10-5+,12-7+
InChIKey
OZBIIIVHSVDSCV-JLLMHHPOSA-N
Compound name
(E)-3-[2-methoxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.11542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 178.0
[M+Na]+ 361.10464 184.5
[M-H]- 337.10814 183.3
[M+NH4]+ 356.14924 190.6
[M+K]+ 377.07858 180.3
[M+H-H2O]+ 321.11268 169.9
[M+HCOO]- 383.11362 198.6
[M+CH3COO]- 397.12927 208.6
[M+Na-2H]- 359.09009 178.1
[M]+ 338.11487 181.4
[M]- 338.11597 181.4
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.