CID 390293

Nsc687585

Structural Information

Molecular Formula
C22H19N5O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)N(C)C)C#N)O
InChI
InChI=1S/C22H19N5O4S/c1-14-4-10-17(11-5-14)32(30,31)25-27-21(28)18(12-23)20(19(13-24)22(27)29)15-6-8-16(9-7-15)26(2)3/h4-11,25,28H,1-3H3
InChIKey
SSMNUCUIXGOSNL-UHFFFAOYSA-N
Compound name
N-[3,5-dicyano-4-[4-(dimethylamino)phenyl]-2-hydroxy-6-oxopyridin-1-yl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.11578 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.12306 220.9
[M+Na]+ 472.10500 230.3
[M-H]- 448.10850 225.9
[M+NH4]+ 467.14960 225.0
[M+K]+ 488.07894 225.3
[M+H-H2O]+ 432.11304 202.8
[M+HCOO]- 494.11398 227.5
[M+CH3COO]- 508.12963 249.6
[M+Na-2H]- 470.09045 217.2
[M]+ 449.11523 214.7
[M]- 449.11633 214.7
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.