CID 51131

Brn 0826753

Structural Information

Molecular Formula

C₁₃H₁₃Cl₂N₅O

SMILES

C1=CC(=CC=C1C2=CN=NC(=N2)NNC(=O)CCCCl)Cl

InChI

InChI=1S/C13H13Cl2N5O/c14-7-1-2-12(21)18-20-13-17-11(8-16-19-13)9-3-5-10(15)6-4-9/h3-6,8H,1-2,7H2,(H,18,21)(H,17,19,20)

InChIKey

UKINOWWQEQRAEZ-UHFFFAOYSA-N

Compound name

4-chloro-N'-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]butanehydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 325.0497 Da
Monoisotopic Mass: 2.2
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]+	326.056976	169.6
[M+Na]+	348.038918	177.6
[M-H]-	324.042424	171.2
[M+NH4]+	343.083523	180.1
[M+K]+	364.012858	170.9
[M+H-H2O]+	308.046960	160.0
[M+HCOO]-	370.047901	181.8
[M+CH3COO]-	384.063551	208.7
[M+Na-2H]-	346.024366	175.5
[M]+	325.04915142	172.3
[M]-	325.05024858	172.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.