CID 16750106

N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide

Structural Information

Molecular Formula
C24H24N4O2S
SMILES
CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=CC=C3NC4=CC=CC=N4)N=C2
InChI
InChI=1S/C24H24N4O2S/c1-24(2,3)28-31(29,30)19-12-10-17(11-13-19)18-15-20-21(26-16-18)7-6-8-22(20)27-23-9-4-5-14-25-23/h4-16,28H,1-3H3,(H,25,27)
InChIKey
GJTCKUKIFXWJKG-UHFFFAOYSA-N
Compound name
N-tert-butyl-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

432.162 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.16928 204.0
[M+Na]+ 455.15122 211.0
[M-H]- 431.15472 211.6
[M+NH4]+ 450.19582 211.3
[M+K]+ 471.12516 203.6
[M+H-H2O]+ 415.15926 193.3
[M+HCOO]- 477.16020 217.8
[M+CH3COO]- 491.17585 211.9
[M+Na-2H]- 453.13667 211.8
[M]+ 432.16145 205.6
[M]- 432.16255 205.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe