CID 2742117

Maybridge1_008319

Structural Information

Molecular Formula

C₁₅H₁₂ClN₅O

SMILES

CN(C1=NC2=CC=CC=C2N=C1)NC(=O)C3=C(C=NC=C3)Cl

InChI

InChI=1S/C15H12ClN5O/c1-21(20-15(22)10-6-7-17-8-11(10)16)14-9-18-12-4-2-3-5-13(12)19-14/h2-9H,1H3,(H,20,22)

InChIKey

QZBOACTURJFZIL-UHFFFAOYSA-N

Compound name

3-chloro-N'-methyl-N'-quinoxalin-2-ylpyridine-4-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 313.07303 Da
Monoisotopic Mass: 2.4
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]+	314.080306	168.5
[M+Na]+	336.062248	177.0
[M-H]-	312.065754	173.3
[M+NH4]+	331.106853	180.5
[M+K]+	352.036188	171.6
[M+H-H2O]+	296.070290	158.0
[M+HCOO]-	358.071231	185.5
[M+CH3COO]-	372.086881	179.1
[M+Na-2H]-	334.047696	176.9
[M]+	313.07248142	171.1
[M]-	313.07357858	171.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.