CID 2811020

Ns00018144

Structural Information

Molecular Formula

C₁₅H₁₅Cl₂N₃O

SMILES

CCCC1=CC=C(C=C1)C(=O)NNC2=C(C=NC=C2Cl)Cl

InChI

InChI=1S/C15H15Cl2N3O/c1-2-3-10-4-6-11(7-5-10)15(21)20-19-14-12(16)8-18-9-13(14)17/h4-9H,2-3H2,1H3,(H,18,19)(H,20,21)

InChIKey

DTJAHFUPAWOALN-UHFFFAOYSA-N

Compound name

N'-(3,5-dichloro-4-pyridinyl)-4-propylbenzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 323.0592 Da
Monoisotopic Mass: 4.6
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]+	324.066476	172.4
[M+Na]+	346.048418	180.8
[M-H]-	322.051924	177.0
[M+NH4]+	341.093023	186.2
[M+K]+	362.022358	173.8
[M+H-H2O]+	306.056460	165.0
[M+HCOO]-	368.057401	186.8
[M+CH3COO]-	382.073051	210.3
[M+Na-2H]-	344.033866	176.0
[M]+	323.05865142	175.7
[M]-	323.05974858	175.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.