CID 492280

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

Structural Information

Molecular Formula
C24H21N3O3S
SMILES
CC1=CC2=C(C=CN=C2C=C1)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C
InChI
InChI=1S/C24H21N3O3S/c1-16-3-12-23-22(15-16)24(13-14-25-23)27-19-6-10-21(11-7-19)31(29,30)20-8-4-18(5-9-20)26-17(2)28/h3-15H,1-2H3,(H,25,27)(H,26,28)
InChIKey
IYTIDOICUYPZOH-UHFFFAOYSA-N
Compound name
N-[4-[4-[(6-methylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.13037 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.13765 201.8
[M+Na]+ 454.11959 208.9
[M-H]- 430.12309 210.9
[M+NH4]+ 449.16419 210.4
[M+K]+ 470.09353 202.1
[M+H-H2O]+ 414.12763 191.4
[M+HCOO]- 476.12857 217.7
[M+CH3COO]- 490.14422 210.4
[M+Na-2H]- 452.10504 206.9
[M]+ 431.12982 204.1
[M]- 431.13092 204.1
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.