CID 390266

Nsc687558

Structural Information

Molecular Formula
C20H14N4O3S2
SMILES
CC1=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/C20H14N4O3S2/c1-13-7-9-14(10-8-13)18-16(11-21)19(25)24(20(28)17(18)12-22)23-29(26,27)15-5-3-2-4-6-15/h2-10,23,28H,1H3
InChIKey
JVDZJBPDKXEMNZ-UHFFFAOYSA-N
Compound name
N-[3,5-dicyano-4-(4-methylphenyl)-2-oxo-6-sulfanylpyridin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.05072 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.05800 218.6
[M+Na]+ 445.03994 229.7
[M-H]- 421.04344 224.3
[M+NH4]+ 440.08454 224.4
[M+K]+ 461.01388 223.3
[M+H-H2O]+ 405.04798 201.5
[M+HCOO]- 467.04892 222.2
[M+CH3COO]- 481.06457 242.0
[M+Na-2H]- 443.02539 215.4
[M]+ 422.05017 212.6
[M]- 422.05127 212.6
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.