CID 9629718

4-{(e)-[(2-{[(4-chlorophenyl)sulfonyl]amino}benzoyl)hydrazono]methyl}-2-methoxyphenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C29H24ClN3O7S
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)Cl)OC
InChI
InChI=1S/C29H24ClN3O7S/c1-38-22-12-8-20(9-13-22)29(35)40-26-16-7-19(17-27(26)39-2)18-31-32-28(34)24-5-3-4-6-25(24)33-41(36,37)23-14-10-21(30)11-15-23/h3-18,33H,1-2H3,(H,32,34)/b31-18+
InChIKey
GKHRFCOYDYXJAA-FDAWAROLSA-N
Compound name
[4-[(E)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

593.10236 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.10964 237.4
[M+Na]+ 616.09158 241.7
[M-H]- 592.09508 250.8
[M+NH4]+ 611.13618 240.0
[M+K]+ 632.06552 237.6
[M+H-H2O]+ 576.09962 225.7
[M+HCOO]- 638.10056 252.4
[M+CH3COO]- 652.11621 260.4
[M+Na-2H]- 614.07703 239.8
[M]+ 593.10181 246.7
[M]- 593.10291 246.7
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.