CID 105466

1,4-dimethyl-3-cyano-6-hydroxypyrid-2-one-5-(4-n-hexylsulfonamidephenylazo)

Structural Information

Molecular Formula
C20H25N5O4S
SMILES
CCCCCCNS(=O)(=O)C1=CC=C(C=C1)N=NC2=C(C(=C(N(C2=O)C)O)C#N)C
InChI
InChI=1S/C20H25N5O4S/c1-4-5-6-7-12-22-30(28,29)16-10-8-15(9-11-16)23-24-18-14(2)17(13-21)19(26)25(3)20(18)27/h8-11,22,26H,4-7,12H2,1-3H3
InChIKey
WNXJGTZTTAZWKN-UHFFFAOYSA-N
Compound name
4-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxopyridin-3-yl)diazenyl]-N-hexylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.16272 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.17000 209.5
[M+Na]+ 454.15194 218.1
[M-H]- 430.15544 215.0
[M+NH4]+ 449.19654 217.1
[M+K]+ 470.12588 213.7
[M+H-H2O]+ 414.15998 193.2
[M+HCOO]- 476.16092 225.0
[M+CH3COO]- 490.17657 244.0
[M+Na-2H]- 452.13739 209.6
[M]+ 431.16217 210.5
[M]- 431.16327 210.5
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.