CID 390288

Nsc687580

Structural Information

Molecular Formula
C19H11ClN4O4S
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)O
InChI
InChI=1S/C19H11ClN4O4S/c20-13-8-6-12(7-9-13)17-15(10-21)18(25)24(19(26)16(17)11-22)23-29(27,28)14-4-2-1-3-5-14/h1-9,23,25H
InChIKey
YCMBQIXALPOGJO-UHFFFAOYSA-N
Compound name
N-[4-(4-chlorophenyl)-3,5-dicyano-2-hydroxy-6-oxopyridin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.01895 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.02623 213.0
[M+Na]+ 449.00817 224.6
[M-H]- 425.01167 217.7
[M+NH4]+ 444.05277 218.5
[M+K]+ 464.98211 217.5
[M+H-H2O]+ 409.01621 196.4
[M+HCOO]- 471.01715 217.0
[M+CH3COO]- 485.03280 240.0
[M+Na-2H]- 446.99362 210.7
[M]+ 426.01840 207.4
[M]- 426.01950 207.4
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.