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]+ 339.122696 178.0
[M+Na]+ 361.104638 184.5
[M-H]- 337.108144 183.3
[M+NH4]+ 356.149243 190.6
[M+K]+ 377.078578 180.3
[M+H-H2O]+ 321.112680 169.9
[M+HCOO]- 383.113621 198.6
[M+CH3COO]- 397.129271 208.6
[M+Na-2H]- 359.090086 178.1
[M]+ 338.11487142 181.4
[M]- 338.11596858 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.