CID 112297

69808-32-8

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

13
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 178.7
[M+Na]+ 367.09322 192.5
[M+NH4]+ 362.13782 182.0
[M+K]+ 383.06716 181.4
[M-H]- 343.09672 175.7
[M+Na-2H]- 365.07867 183.2
[M]+ 344.10345 179.2
[M]- 344.10455 179.2
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