CID 9656970

4-(2-(2-(((4-cl-phenyl)sulfonyl)amino)benzoyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C27H20ClN3O5S
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H20ClN3O5S/c28-21-12-16-23(17-13-21)37(34,35)31-25-9-5-4-8-24(25)26(32)30-29-18-19-10-14-22(15-11-19)36-27(33)20-6-2-1-3-7-20/h1-18,31H,(H,30,32)/b29-18+
InChIKey
YJHKNFLJXFHJPJ-RDRPBHBLSA-N
Compound name
[4-[(E)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.08124 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.08852 222.2
[M+Na]+ 556.07046 235.7
[M+NH4]+ 551.11506 227.5
[M+K]+ 572.04440 225.9
[M-H]- 532.07396 230.2
[M+Na-2H]- 554.05591 234.1
[M]+ 533.08069 227.1
[M]- 533.08179 227.1
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.