CID 9650082

4-(2-((4-cl-ph)sulfonyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C22H17Cl3N2O5S
SMILES
CCOC1=C(C=CC(=C1)/C=N/NS(=O)(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C22H17Cl3N2O5S/c1-2-31-21-11-14(13-26-27-33(29,30)17-7-4-15(23)5-8-17)3-10-20(21)32-22(28)18-9-6-16(24)12-19(18)25/h3-13,27H,2H2,1H3/b26-13+
InChIKey
GHQURXJJDXXYOE-LGJNPRDNSA-N
Compound name
[4-[(E)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.9924 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.99968 214.8
[M+Na]+ 548.98162 223.3
[M-H]- 524.98512 224.8
[M+NH4]+ 544.02622 223.0
[M+K]+ 564.95556 217.1
[M+H-H2O]+ 508.98966 207.6
[M+HCOO]- 570.99060 220.6
[M+CH3COO]- 585.00625 242.0
[M+Na-2H]- 546.96707 215.5
[M]+ 525.99185 225.7
[M]- 525.99295 225.7
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.