CID 390283

Nsc687575

Structural Information

Molecular Formula
C27H21N5O3S
SMILES
CN(C)C1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4)C#N
InChI
InChI=1S/C27H21N5O3S/c1-31(2)21-15-13-19(14-16-21)25-23(17-28)26(20-9-5-3-6-10-20)32(27(33)24(25)18-29)30-36(34,35)22-11-7-4-8-12-22/h3-16,30H,1-2H3
InChIKey
LWGGOPGKICHKAQ-UHFFFAOYSA-N
Compound name
N-[3,5-dicyano-4-[4-(dimethylamino)phenyl]-2-oxo-6-phenylpyridin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.1365 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.14378 234.8
[M+Na]+ 518.12572 244.2
[M-H]- 494.12922 240.8
[M+NH4]+ 513.17032 237.3
[M+K]+ 534.09966 236.2
[M+H-H2O]+ 478.13376 215.2
[M+HCOO]- 540.13470 241.6
[M+CH3COO]- 554.15035 255.3
[M+Na-2H]- 516.11117 231.1
[M]+ 495.13595 227.5
[M]- 495.13705 227.5
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.