CID 390273

Nsc687565

Structural Information

Molecular Formula
C19H11N5O5S2
SMILES
C1=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)S
InChI
InChI=1S/C19H11N5O5S2/c20-10-15-17(12-6-8-13(9-7-12)24(26)27)16(11-21)19(30)23(18(15)25)22-31(28,29)14-4-2-1-3-5-14/h1-9,22,30H
InChIKey
SGJZJBFYTAJGKR-UHFFFAOYSA-N
Compound name
N-[3,5-dicyano-4-(4-nitrophenyl)-2-oxo-6-sulfanylpyridin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.02017 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.02745 227.6
[M+Na]+ 476.00939 236.1
[M-H]- 452.01289 232.6
[M+NH4]+ 471.05399 231.1
[M+K]+ 491.98333 227.9
[M+H-H2O]+ 436.01743 212.6
[M+HCOO]- 498.01837 231.3
[M+CH3COO]- 512.03402 240.7
[M+Na-2H]- 473.99484 226.1
[M]+ 453.01962 219.3
[M]- 453.02072 219.3
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.