CID 492281

N-6-chloro-4-quinaldyl-n-acetyl-dapsone

Structural Information

Molecular Formula
C23H18ClN3O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC=C3)Cl
InChI
InChI=1S/C23H18ClN3O3S/c1-15(28)26-17-3-7-19(8-4-17)31(29,30)20-9-5-18(6-10-20)27-23-12-13-25-22-11-2-16(24)14-21(22)23/h2-14H,1H3,(H,25,27)(H,26,28)
InChIKey
HIARHGXFGGWTHZ-UHFFFAOYSA-N
Compound name
N-[4-[4-[(6-chloroquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.07574 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.08302 203.4
[M+Na]+ 474.06496 211.6
[M-H]- 450.06846 212.6
[M+NH4]+ 469.10956 212.2
[M+K]+ 490.03890 204.0
[M+H-H2O]+ 434.07300 193.9
[M+HCOO]- 496.07394 215.3
[M+CH3COO]- 510.08959 212.1
[M+Na-2H]- 472.05041 208.6
[M]+ 451.07519 208.0
[M]- 451.07629 208.0
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.