CID 470206

4-[1''-(piperidino)methyl-3''-isatinimino]-n-(5',6'-dimethoxy-4'-pyrimidinyl) benzene sulphonamide

Structural Information

Molecular Formula
C26H28N6O5S
SMILES
COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N=C3C4=CC=CC=C4N(C3=O)CN5CCCCC5
InChI
InChI=1S/C26H28N6O5S/c1-36-23-24(27-16-28-25(23)37-2)30-38(34,35)19-12-10-18(11-13-19)29-22-20-8-4-5-9-21(20)32(26(22)33)17-31-14-6-3-7-15-31/h4-5,8-13,16H,3,6-7,14-15,17H2,1-2H3,(H,27,28,30)
InChIKey
DKGKDKMOCJWSEG-UHFFFAOYSA-N
Compound name
N-(5,6-dimethoxypyrimidin-4-yl)-4-[[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

536.1842 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.19148 225.6
[M+Na]+ 559.17342 230.8
[M-H]- 535.17692 234.7
[M+NH4]+ 554.21802 227.8
[M+K]+ 575.14736 224.9
[M+H-H2O]+ 519.18146 213.5
[M+HCOO]- 581.18240 236.5
[M+CH3COO]- 595.19805 231.2
[M+Na-2H]- 557.15887 226.8
[M]+ 536.18365 227.9
[M]- 536.18475 227.9
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.