CID 9677735

4-cl-n-(4-((2-(3-ph-2-propenylidene)hydrazino)carbonyl)phenyl)benzenesulfonamide

Structural Information

Molecular Formula
C22H18ClN3O3S
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H18ClN3O3S/c23-19-10-14-21(15-11-19)30(28,29)26-20-12-8-18(9-13-20)22(27)25-24-16-4-7-17-5-2-1-3-6-17/h1-16,26H,(H,25,27)/b7-4+,24-16+
InChIKey
IEANMQCPAOLANI-UMWUHAGBSA-N
Compound name
4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.07574 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.08302 203.1
[M+Na]+ 462.06496 209.2
[M-H]- 438.06846 213.5
[M+NH4]+ 457.10956 212.8
[M+K]+ 478.03890 201.2
[M+H-H2O]+ 422.07300 193.7
[M+HCOO]- 484.07394 219.8
[M+CH3COO]- 498.08959 230.5
[M+Na-2H]- 460.05041 207.2
[M]+ 439.07519 206.7
[M]- 439.07629 206.7
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.