CID 390264

Nsc687556

Structural Information

Molecular Formula
C19H11ClN4O3S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)Cl)C#N)S
InChI
InChI=1S/C19H11ClN4O3S2/c20-13-8-6-12(7-9-13)17-15(10-21)18(25)24(19(28)16(17)11-22)23-29(26,27)14-4-2-1-3-5-14/h1-9,23,28H
InChIKey
TXLWGCKNUAZOLH-UHFFFAOYSA-N
Compound name
N-[4-(4-chlorophenyl)-3,5-dicyano-2-oxo-6-sulfanylpyridin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.99612 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.00340 218.8
[M+Na]+ 464.98534 230.9
[M-H]- 440.98884 224.9
[M+NH4]+ 460.02994 224.9
[M+K]+ 480.95928 223.7
[M+H-H2O]+ 424.99338 202.7
[M+HCOO]- 486.99432 220.0
[M+CH3COO]- 501.00997 222.6
[M+Na-2H]- 462.97079 215.9
[M]+ 441.99557 214.2
[M]- 441.99667 214.2
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.