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 209.9
[M+Na]+ 493.05952 216.6
[M-H]- 469.06302 220.7
[M+NH4]+ 488.10412 218.7
[M+K]+ 509.03346 210.2
[M+H-H2O]+ 453.06756 200.3
[M+HCOO]- 515.06850 225.7
[M+CH3COO]- 529.08415 233.8
[M+Na-2H]- 491.04497 212.7
[M]+ 470.06975 217.6
[M]- 470.07085 217.6
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.