CID 390294

Nsc687586

Structural Information

Molecular Formula
C20H13N5O6S
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)O
InChI
InChI=1S/C20H13N5O6S/c1-12-2-8-15(9-3-12)32(30,31)23-24-19(26)16(10-21)18(17(11-22)20(24)27)13-4-6-14(7-5-13)25(28)29/h2-9,23,26H,1H3
InChIKey
BSYFZGDIRGEGPL-UHFFFAOYSA-N
Compound name
N-[3,5-dicyano-2-hydroxy-4-(4-nitrophenyl)-6-oxopyridin-1-yl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.05865 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.06593 224.1
[M+Na]+ 474.04787 232.3
[M-H]- 450.05137 228.0
[M+NH4]+ 469.09247 226.8
[M+K]+ 490.02181 224.5
[M+H-H2O]+ 434.05591 208.8
[M+HCOO]- 496.05685 230.4
[M+CH3COO]- 510.07250 241.0
[M+Na-2H]- 472.03332 222.3
[M]+ 451.05810 215.5
[M]- 451.05920 215.5
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.