CID 492283

N-8-methoxy-4-quinaldyl-n-acetyl-dapsone

Structural Information

Molecular Formula
C24H21N3O4S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC=C3)OC
InChI
InChI=1S/C24H21N3O4S/c1-16(28)26-17-6-10-19(11-7-17)32(29,30)20-12-8-18(9-13-20)27-22-14-15-25-24-21(22)4-3-5-23(24)31-2/h3-15H,1-2H3,(H,25,27)(H,26,28)
InChIKey
ALJIUJYBCGORQC-UHFFFAOYSA-N
Compound name
N-[4-[4-[(8-methoxyquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.12527 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.13255 204.7
[M+Na]+ 470.11449 211.3
[M-H]- 446.11799 213.7
[M+NH4]+ 465.15909 212.4
[M+K]+ 486.08843 205.4
[M+H-H2O]+ 430.12253 194.0
[M+HCOO]- 492.12347 220.7
[M+CH3COO]- 506.13912 233.6
[M+Na-2H]- 468.09994 210.1
[M]+ 447.12472 208.2
[M]- 447.12582 208.2
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.