CID 3482635

4-[(4-chlorophenyl)sulfonylamino]-n-[(4-fluorophenyl)methylideneamino]benzamide

Structural Information

Molecular Formula
C20H15ClFN3O3S
SMILES
C1=CC(=CC=C1C=NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)F
InChI
InChI=1S/C20H15ClFN3O3S/c21-16-5-11-19(12-6-16)29(27,28)25-18-9-3-15(4-10-18)20(26)24-23-13-14-1-7-17(22)8-2-14/h1-13,25H,(H,24,26)
InChIKey
LYJGCGWZCQFZBN-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.05066 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.05794 197.3
[M+Na]+ 454.03988 204.8
[M-H]- 430.04338 207.0
[M+NH4]+ 449.08448 207.5
[M+K]+ 470.01382 197.4
[M+H-H2O]+ 414.04792 187.3
[M+HCOO]- 476.04886 213.4
[M+CH3COO]- 490.06451 229.9
[M+Na-2H]- 452.02533 201.2
[M]+ 431.05011 200.5
[M]- 431.05121 200.5
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.