CID 390277

Nsc687569

Structural Information

Molecular Formula
C25H15N5O5S
SMILES
C1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)[N+](=O)[O-])C#N
InChI
InChI=1S/C25H15N5O5S/c26-15-21-23(17-11-13-19(14-12-17)30(32)33)22(16-27)25(31)29(24(21)18-7-3-1-4-8-18)28-36(34,35)20-9-5-2-6-10-20/h1-14,28H
InChIKey
BYRVWCIUNTZABV-UHFFFAOYSA-N
Compound name
N-[3,5-dicyano-4-(4-nitrophenyl)-2-oxo-6-phenylpyridin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.07938 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.08666 238.5
[M+Na]+ 520.06860 246.6
[M-H]- 496.07210 243.6
[M+NH4]+ 515.11320 239.7
[M+K]+ 536.04254 235.9
[M+H-H2O]+ 480.07664 221.6
[M+HCOO]- 542.07758 244.9
[M+CH3COO]- 556.09323 247.1
[M+Na-2H]- 518.05405 236.6
[M]+ 497.07883 228.9
[M]- 497.07993 228.9
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.