CID 390286

Nsc687578

Structural Information

Molecular Formula
C27H20N4O3S
SMILES
CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=C(C=C3)C)C#N)C4=CC=CC=C4)C#N
InChI
InChI=1S/C27H20N4O3S/c1-18-8-12-21(13-9-18)26-23(16-28)25(20-6-4-3-5-7-20)24(17-29)27(32)31(26)30-35(33,34)22-14-10-19(2)11-15-22/h3-15,30H,1-2H3
InChIKey
BAKUCNVIGSNBGL-UHFFFAOYSA-N
Compound name
N-[3,5-dicyano-2-(4-methylphenyl)-6-oxo-4-phenylpyridin-1-yl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.1256 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.13288 232.2
[M+Na]+ 503.11482 243.1
[M-H]- 479.11832 238.1
[M+NH4]+ 498.15942 235.4
[M+K]+ 519.08876 234.0
[M+H-H2O]+ 463.12286 213.2
[M+HCOO]- 525.12380 238.3
[M+CH3COO]- 539.13945 234.6
[M+Na-2H]- 501.10027 228.1
[M]+ 480.12505 225.1
[M]- 480.12615 225.1
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.