CID 4151476

4-(2-((4-cl-phenyl)sulfonyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate

Structural Information

Molecular Formula
C23H19ClN2O5S
SMILES
COC1=C(C=CC(=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)Cl)OC(=O)C=CC3=CC=CC=C3
InChI
InChI=1S/C23H19ClN2O5S/c1-30-22-15-18(16-25-26-32(28,29)20-11-9-19(24)10-12-20)7-13-21(22)31-23(27)14-8-17-5-3-2-4-6-17/h2-16,26H,1H3
InChIKey
LKOWSHNXDHWSBI-UHFFFAOYSA-N
Compound name
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.0703 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.07758 208.6
[M+Na]+ 493.05952 221.8
[M+NH4]+ 488.10412 214.0
[M+K]+ 509.03346 211.9
[M-H]- 469.06302 213.9
[M+Na-2H]- 491.04497 217.8
[M]+ 470.06975 212.6
[M]- 470.07085 212.6
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.