CID 51060858

4-(2-(2-(((4-chlorophenyl)sulfonyl)amino)benzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C27H19Cl2N3O5S
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)NS(=O)(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H19Cl2N3O5S/c28-20-9-7-19(8-10-20)27(34)37-22-13-5-18(6-14-22)17-30-31-26(33)24-3-1-2-4-25(24)32-38(35,36)23-15-11-21(29)12-16-23/h1-17,32H,(H,31,33)/b30-17+
InChIKey
VNUXKJJLZLBFBE-OCSSWDANSA-N
Compound name
[4-[(E)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

567.04224 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.04952 228.9
[M+Na]+ 590.03146 234.7
[M-H]- 566.03496 241.8
[M+NH4]+ 585.07606 233.5
[M+K]+ 606.00540 228.2
[M+H-H2O]+ 550.03950 218.9
[M+HCOO]- 612.04044 239.6
[M+CH3COO]- 626.05609 252.2
[M+Na-2H]- 588.01691 231.4
[M]+ 567.04169 236.5
[M]- 567.04279 236.5
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.