CID 6448160

(e,e)-3-(5-(3-(4-chlorophenyl)-1-oxo-2-propenyl)-2-methoxyphenyl)-2-butenoic acid

Structural Information

Molecular Formula
C20H17ClO4
SMILES
C/C(=C\C(=O)O)/C1=C(C=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)Cl)OC
InChI
InChI=1S/C20H17ClO4/c1-13(11-20(23)24)17-12-15(6-10-19(17)25-2)18(22)9-5-14-3-7-16(21)8-4-14/h3-12H,1-2H3,(H,23,24)/b9-5+,13-11+
InChIKey
RQFSZJSBKMVXFM-QJFQFMRBSA-N
Compound name
(E)-3-[5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-methoxyphenyl]but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.08154 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.08882 180.0
[M+Na]+ 379.07076 187.3
[M-H]- 355.07426 185.3
[M+NH4]+ 374.11536 192.9
[M+K]+ 395.04470 181.1
[M+H-H2O]+ 339.07880 173.3
[M+HCOO]- 401.07974 195.1
[M+CH3COO]- 415.09539 211.0
[M+Na-2H]- 377.05621 178.6
[M]+ 356.08099 183.9
[M]- 356.08209 183.9
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.