CID 135835840

92875-17-7

Structural Information

Molecular Formula
C17H16Cl2N4O2
SMILES
CCCCN1C(=C(C(=C(C1=O)N=NC2=CC(=C(C=C2)Cl)Cl)C)C#N)O
InChI
InChI=1S/C17H16Cl2N4O2/c1-3-4-7-23-16(24)12(9-20)10(2)15(17(23)25)22-21-11-5-6-13(18)14(19)8-11/h5-6,8,24H,3-4,7H2,1-2H3
InChIKey
FKAXZGNSVCRTJA-UHFFFAOYSA-N
Compound name
1-butyl-5-[(3,4-dichlorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.06503 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.07231 187.9
[M+Na]+ 401.05425 201.0
[M-H]- 377.05775 193.2
[M+NH4]+ 396.09885 199.5
[M+K]+ 417.02819 193.8
[M+H-H2O]+ 361.06229 174.1
[M+HCOO]- 423.06323 201.0
[M+CH3COO]- 437.07888 232.7
[M+Na-2H]- 399.03970 188.4
[M]+ 378.06448 190.0
[M]- 378.06558 190.0
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.