CID 5712204

4-[3-(2,4-dimethoxyphenyl)acryloyl]phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C24H19ClO5
SMILES
COC1=CC(=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C24H19ClO5/c1-28-21-13-7-17(23(15-21)29-2)8-14-22(26)16-5-11-20(12-6-16)30-24(27)18-3-9-19(25)10-4-18/h3-15H,1-2H3/b14-8+
InChIKey
KMPULMSHNFVSPZ-RIYZIHGNSA-N
Compound name
[4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.0921 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.09938 198.1
[M+Na]+ 445.08132 205.8
[M-H]- 421.08482 207.8
[M+NH4]+ 440.12592 208.5
[M+K]+ 461.05526 200.3
[M+H-H2O]+ 405.08936 188.7
[M+HCOO]- 467.09030 215.3
[M+CH3COO]- 481.10595 224.4
[M+Na-2H]- 443.06677 197.7
[M]+ 422.09155 205.5
[M]- 422.09265 205.5
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.