CID 390275

Nsc687567

Structural Information

Molecular Formula
C25H15ClN4O3S
SMILES
C1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)Cl)C#N
InChI
InChI=1S/C25H15ClN4O3S/c26-19-13-11-17(12-14-19)23-21(15-27)24(18-7-3-1-4-8-18)30(25(31)22(23)16-28)29-34(32,33)20-9-5-2-6-10-20/h1-14,29H
InChIKey
YHJBZVKHAICGBQ-UHFFFAOYSA-N
Compound name
N-[4-(4-chlorophenyl)-3,5-dicyano-2-oxo-6-phenylpyridin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.05533 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.06261 229.7
[M+Na]+ 509.04455 241.5
[M-H]- 485.04805 235.6
[M+NH4]+ 504.08915 233.4
[M+K]+ 525.01849 231.5
[M+H-H2O]+ 469.05259 211.5
[M+HCOO]- 531.05353 233.6
[M+CH3COO]- 545.06918 232.4
[M+Na-2H]- 507.03000 226.6
[M]+ 486.05478 223.7
[M]- 486.05588 223.7
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.