CID 85485

16539-99-4

Structural Information

Molecular Formula
C13H11N5O4S
SMILES
CC1=C(C(=O)NC(=C1C#N)O)N=NC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C13H11N5O4S/c1-7-10(6-14)12(19)16-13(20)11(7)18-17-8-2-4-9(5-3-8)23(15,21)22/h2-5H,1H3,(H2,15,21,22)(H2,16,19,20)
InChIKey
WVIPTGNFFZTKHS-UHFFFAOYSA-N
Compound name
4-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

333.05316 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06044 185.7
[M+Na]+ 356.04238 196.1
[M-H]- 332.04588 190.4
[M+NH4]+ 351.08698 195.9
[M+K]+ 372.01632 191.8
[M+H-H2O]+ 316.05042 170.7
[M+HCOO]- 378.05136 201.4
[M+CH3COO]- 392.06701 222.0
[M+Na-2H]- 354.02783 187.7
[M]+ 333.05261 181.8
[M]- 333.05371 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.