CID 390292

Nsc687584

Structural Information

Molecular Formula
C21H17N5O4S
SMILES
CN(C)C1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)O)NS(=O)(=O)C3=CC=CC=C3)C#N
InChI
InChI=1S/C21H17N5O4S/c1-25(2)15-10-8-14(9-11-15)19-17(12-22)20(27)26(21(28)18(19)13-23)24-31(29,30)16-6-4-3-5-7-16/h3-11,24,27H,1-2H3
InChIKey
OJCAFBUATRCALU-UHFFFAOYSA-N
Compound name
N-[3,5-dicyano-4-[4-(dimethylamino)phenyl]-2-hydroxy-6-oxopyridin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.10013 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.10741 218.4
[M+Na]+ 458.08935 227.6
[M-H]- 434.09285 223.2
[M+NH4]+ 453.13395 222.7
[M+K]+ 474.06329 222.5
[M+H-H2O]+ 418.09739 200.2
[M+HCOO]- 480.09833 225.2
[M+CH3COO]- 494.11398 246.9
[M+Na-2H]- 456.07480 215.4
[M]+ 435.09958 211.7
[M]- 435.10068 211.7
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.