CID 112297

C.i. disperse yellow 218

Structural Information

Molecular Formula
C17H17ClN4O2
SMILES
CCCCN1C(=C(C(=C(C1=O)N=NC2=CC=C(C=C2)Cl)C)C#N)O
InChI
InChI=1S/C17H17ClN4O2/c1-3-4-9-22-16(23)14(10-19)11(2)15(17(22)24)21-20-13-7-5-12(18)6-8-13/h5-8,23H,3-4,9H2,1-2H3
InChIKey
MWAWPZSULSWTAA-UHFFFAOYSA-N
Compound name
1-butyl-5-[(4-chlorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

344.104 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11128 181.7
[M+Na]+ 367.09322 193.6
[M-H]- 343.09672 187.3
[M+NH4]+ 362.13782 193.7
[M+K]+ 383.06716 187.4
[M+H-H2O]+ 327.10126 166.8
[M+HCOO]- 389.10220 199.4
[M+CH3COO]- 403.11785 228.2
[M+Na-2H]- 365.07867 183.5
[M]+ 344.10345 182.2
[M]- 344.10455 182.2
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