CID 174327

83748-27-0

Structural Information

Molecular Formula

C₁₆H₁₄ClN₅O₄

SMILES

CCCN1C(=C(C(=C(C1=O)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C)C#N)O

InChI

InChI=1S/C16H14ClN5O4/c1-3-6-21-15(23)11(8-18)9(2)14(16(21)24)20-19-12-5-4-10(17)7-13(12)22(25)26/h4-5,7,23H,3,6H2,1-2H3

InChIKey

YOXAAGNCYGONKU-UHFFFAOYSA-N

Compound name

5-[(4-chloro-2-nitrophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 375.07343 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	376.080706	191.3
[M+Na]+	398.062648	201.6
[M-H]-	374.066154	196.7
[M+NH4]+	393.107253	200.9
[M+K]+	414.036588	193.1
[M+H-H2O]+	358.070690	180.3
[M+HCOO]-	420.071631	209.5
[M+CH3COO]-	434.087281	227.7
[M+Na-2H]-	396.048096	193.9
[M]+	375.07288142	190.1
[M]-	375.07397858	190.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.