CID 101006

59312-61-7

Structural Information

Molecular Formula
C20H16N4O5S
SMILES
CC1=C(C(=O)N(C(=C1C#N)O)C)N=NC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H16N4O5S/c1-13-17(12-21)19(25)24(2)20(26)18(13)23-22-14-7-6-8-15(11-14)29-30(27,28)16-9-4-3-5-10-16/h3-11,25H,1-2H3
InChIKey
NNRSGUGASARXPY-UHFFFAOYSA-N
Compound name
[3-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxopyridin-3-yl)diazenyl]phenyl] benzenesulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

424.08414 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.09142 195.3
[M+Na]+ 447.07336 208.1
[M+NH4]+ 442.11796 197.0
[M+K]+ 463.04730 197.5
[M-H]- 423.07686 192.6
[M+Na-2H]- 445.05881 201.0
[M]+ 424.08359 195.9
[M]- 424.08469 195.9
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

patents stripe