CID 9650093

2-ethoxy-4-(2-(((ph-sulfonyl)amino)ac)carbohydrazonoyl)ph 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C24H21Cl2N3O6S
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)CNS(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C24H21Cl2N3O6S/c1-2-34-22-12-16(8-11-21(22)35-24(31)19-10-9-17(25)13-20(19)26)14-27-29-23(30)15-28-36(32,33)18-6-4-3-5-7-18/h3-14,28H,2,15H2,1H3,(H,29,30)/b27-14+
InChIKey
ZEVVVKASIKQQBA-MZJWZYIUSA-N
Compound name
[4-[(E)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.0528 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.06008 223.2
[M+Na]+ 572.04202 228.7
[M-H]- 548.04552 233.5
[M+NH4]+ 567.08662 229.1
[M+K]+ 588.01596 223.3
[M+H-H2O]+ 532.05006 214.4
[M+HCOO]- 594.05100 234.0
[M+CH3COO]- 608.06665 249.7
[M+Na-2H]- 570.02747 224.9
[M]+ 549.05225 233.4
[M]- 549.05335 233.4
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.