CID 390295

Nsc687587

Structural Information

Molecular Formula
C20H14N4O4S
SMILES
CC1=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/C20H14N4O4S/c1-13-7-9-14(10-8-13)18-16(11-21)19(25)24(20(26)17(18)12-22)23-29(27,28)15-5-3-2-4-6-15/h2-10,23,25H,1H3
InChIKey
PWZGPJHLSBUICT-UHFFFAOYSA-N
Compound name
N-[3,5-dicyano-2-hydroxy-4-(4-methylphenyl)-6-oxopyridin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.07358 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.08086 212.9
[M+Na]+ 429.06280 223.5
[M-H]- 405.06630 217.4
[M+NH4]+ 424.10740 218.1
[M+K]+ 445.03674 217.2
[M+H-H2O]+ 389.07084 195.4
[M+HCOO]- 451.07178 219.3
[M+CH3COO]- 465.08743 239.7
[M+Na-2H]- 427.04825 210.3
[M]+ 406.07303 205.9
[M]- 406.07413 205.9
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.