CID 390287

Nsc687579

Structural Information

Molecular Formula
C26H17ClN4O3S
SMILES
CC1=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/C26H17ClN4O3S/c1-17-7-9-19(10-8-17)25-22(15-28)24(18-11-13-20(27)14-12-18)23(16-29)26(32)31(25)30-35(33,34)21-5-3-2-4-6-21/h2-14,30H,1H3
InChIKey
YIDCWFZNWLFIML-UHFFFAOYSA-N
Compound name
N-[4-(4-chlorophenyl)-3,5-dicyano-2-(4-methylphenyl)-6-oxopyridin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.07098 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.07826 232.3
[M+Na]+ 523.06020 244.3
[M-H]- 499.06370 238.4
[M+NH4]+ 518.10480 235.8
[M+K]+ 539.03414 234.4
[M+H-H2O]+ 483.06824 214.2
[M+HCOO]- 545.06918 236.0
[M+CH3COO]- 559.08483 235.0
[M+Na-2H]- 521.04565 228.5
[M]+ 500.07043 226.8
[M]- 500.07153 226.8
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.