CID 390285

Nsc687577

Structural Information

Molecular Formula
C26H18N4O3S
SMILES
CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=CC=C3)C#N)C4=CC=CC=C4)C#N
InChI
InChI=1S/C26H18N4O3S/c1-18-12-14-20(15-13-18)25-22(16-27)24(19-8-4-2-5-9-19)23(17-28)26(31)30(25)29-34(32,33)21-10-6-3-7-11-21/h2-15,29H,1H3
InChIKey
RBLPMZMWXNVPAU-UHFFFAOYSA-N
Compound name
N-[3,5-dicyano-2-(4-methylphenyl)-6-oxo-4-phenylpyridin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.10995 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.11723 229.5
[M+Na]+ 489.09917 240.3
[M-H]- 465.10267 235.3
[M+NH4]+ 484.14377 233.0
[M+K]+ 505.07311 231.1
[M+H-H2O]+ 449.10721 210.6
[M+HCOO]- 511.10815 235.9
[M+CH3COO]- 525.12380 232.1
[M+Na-2H]- 487.08462 226.2
[M]+ 466.10940 222.0
[M]- 466.11050 222.0
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.