CID 390271

Nsc687563

Structural Information

Molecular Formula
C20H14N4O4S2
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)S)NS(=O)(=O)C3=CC=CC=C3)C#N
InChI
InChI=1S/C20H14N4O4S2/c1-28-14-9-7-13(8-10-14)18-16(11-21)19(25)24(20(29)17(18)12-22)23-30(26,27)15-5-3-2-4-6-15/h2-10,23,29H,1H3
InChIKey
CQUJLZAXZJSVEU-UHFFFAOYSA-N
Compound name
N-[3,5-dicyano-4-(4-methoxyphenyl)-2-oxo-6-sulfanylpyridin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.04565 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.05293 219.8
[M+Na]+ 461.03487 230.5
[M-H]- 437.03837 225.4
[M+NH4]+ 456.07947 225.0
[M+K]+ 477.00881 224.7
[M+H-H2O]+ 421.04291 202.6
[M+HCOO]- 483.04385 223.5
[M+CH3COO]- 497.05950 243.4
[M+Na-2H]- 459.02032 216.9
[M]+ 438.04510 214.6
[M]- 438.04620 214.6
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.