CID 390278

Nsc687570

Structural Information

Molecular Formula
C26H17N5O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CC=C4
InChI
InChI=1S/C26H17N5O5S/c1-17-7-13-21(14-8-17)37(35,36)29-30-25(19-5-3-2-4-6-19)22(15-27)24(23(16-28)26(30)32)18-9-11-20(12-10-18)31(33)34/h2-14,29H,1H3
InChIKey
RDFKVITWWQRLSQ-UHFFFAOYSA-N
Compound name
N-[3,5-dicyano-4-(4-nitrophenyl)-2-oxo-6-phenylpyridin-1-yl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.09503 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.10231 241.4
[M+Na]+ 534.08425 249.5
[M-H]- 510.08775 246.5
[M+NH4]+ 529.12885 242.3
[M+K]+ 550.05819 239.0
[M+H-H2O]+ 494.09229 224.5
[M+HCOO]- 556.09323 247.5
[M+CH3COO]- 570.10888 249.7
[M+Na-2H]- 532.06970 238.7
[M]+ 511.09448 232.2
[M]- 511.09558 232.2
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.