CID 163361

Disperse yellow 241

Structural Information

Molecular Formula
C14H10Cl2N4O2
SMILES
CC1=C(C(=O)N(C(=C1C#N)O)C)N=NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H10Cl2N4O2/c1-7-9(6-17)13(21)20(2)14(22)12(7)19-18-8-3-4-10(15)11(16)5-8/h3-5,21H,1-2H3
InChIKey
JPVPLXKLBHAQLE-UHFFFAOYSA-N
Compound name
5-[(3,4-dichlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

336.01807 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.02535 176.5
[M+Na]+ 359.00729 190.7
[M-H]- 335.01079 182.2
[M+NH4]+ 354.05189 189.5
[M+K]+ 374.98123 184.1
[M+H-H2O]+ 319.01533 163.2
[M+HCOO]- 381.01627 190.4
[M+CH3COO]- 395.03192 224.9
[M+Na-2H]- 356.99274 178.2
[M]+ 336.01752 177.6
[M]- 336.01862 177.6
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

patents stripe