CID 9651764

Me 4-(2-(2-(((4-chlorophenyl)sulfonyl)amino)benzoyl)carbohydrazonoyl)benzoate

Structural Information

Molecular Formula
C22H18ClN3O5S
SMILES
COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H18ClN3O5S/c1-31-22(28)16-8-6-15(7-9-16)14-24-25-21(27)19-4-2-3-5-20(19)26-32(29,30)18-12-10-17(23)11-13-18/h2-14,26H,1H3,(H,25,27)/b24-14+
InChIKey
LVUHLFJGYGTTKT-ZVHZXABRSA-N
Compound name
methyl 4-[(E)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.06558 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.07286 208.1
[M+Na]+ 494.05480 213.9
[M-H]- 470.05830 218.9
[M+NH4]+ 489.09940 216.3
[M+K]+ 510.02874 208.4
[M+H-H2O]+ 454.06284 198.7
[M+HCOO]- 516.06378 224.1
[M+CH3COO]- 530.07943 237.1
[M+Na-2H]- 492.04025 211.4
[M]+ 471.06503 214.3
[M]- 471.06613 214.3
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.