CID 390291

Nsc687583

Structural Information

Molecular Formula
C19H12N4O4S
SMILES
C1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)O)NS(=O)(=O)C3=CC=CC=C3)C#N
InChI
InChI=1S/C19H12N4O4S/c20-11-15-17(13-7-3-1-4-8-13)16(12-21)19(25)23(18(15)24)22-28(26,27)14-9-5-2-6-10-14/h1-10,22,24H
InChIKey
NIPKSNCJCLBEBO-UHFFFAOYSA-N
Compound name
N-(3,5-dicyano-2-hydroxy-6-oxo-4-phenylpyridin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.05792 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.06520 210.3
[M+Na]+ 415.04714 220.8
[M-H]- 391.05064 214.6
[M+NH4]+ 410.09174 215.7
[M+K]+ 431.02108 214.3
[M+H-H2O]+ 375.05518 192.7
[M+HCOO]- 437.05612 217.0
[M+CH3COO]- 451.07177 237.0
[M+Na-2H]- 413.03259 208.4
[M]+ 392.05737 202.8
[M]- 392.05847 202.8
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.