CID 9671655

4-chloro-n-[4-({(2e)-2-[(6-chloro-4-oxo-4h-chromen-3-yl)methylene]hydrazino}carbonyl)phenyl]benzenesulfonamide

Structural Information

Molecular Formula
C23H15Cl2N3O5S
SMILES
C1=CC(=CC=C1C(=O)N/N=C/C2=COC3=C(C2=O)C=C(C=C3)Cl)NS(=O)(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H15Cl2N3O5S/c24-16-3-8-19(9-4-16)34(31,32)28-18-6-1-14(2-7-18)23(30)27-26-12-15-13-33-21-10-5-17(25)11-20(21)22(15)29/h1-13,28H,(H,27,30)/b26-12+
InChIKey
SPOAQEMTEMFUSE-RPPGKUMJSA-N
Compound name
N-[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.0109 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.01818 217.0
[M+Na]+ 538.00012 226.0
[M-H]- 514.00362 229.3
[M+NH4]+ 533.04472 224.2
[M+K]+ 553.97406 220.6
[M+H-H2O]+ 498.00816 208.5
[M+HCOO]- 560.00910 227.6
[M+CH3COO]- 574.02475 244.4
[M+Na-2H]- 535.98557 222.5
[M]+ 515.01035 226.2
[M]- 515.01145 226.2
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.