CID 9579505

140835-42-3

Structural Information

Molecular Formula

C₁₅H₁₅ClN₆O₂

SMILES

C/C(=N\NC(=O)NNC(=O)NC1=CC=CC=C1Cl)/C2=CC=CC=N2

InChI

InChI=1S/C15H15ClN6O2/c1-10(12-7-4-5-9-17-12)19-21-15(24)22-20-14(23)18-13-8-3-2-6-11(13)16/h2-9H,1H3,(H2,18,20,23)(H2,21,22,24)/b19-10+

InChIKey

MPHIIVGFJMUAIK-VXLYETTFSA-N

Compound name

1-(2-chlorophenyl)-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamoylamino]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 346.0945 Da
Monoisotopic Mass: 2.0
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]+	347.101776	178.9
[M+Na]+	369.083718	183.1
[M-H]-	345.087224	185.4
[M+NH4]+	364.128323	190.3
[M+K]+	385.057658	179.3
[M+H-H2O]+	329.091760	169.5
[M+HCOO]-	391.092701	201.8
[M+CH3COO]-	405.108351	221.1
[M+Na-2H]-	367.069166	184.6
[M]+	346.09395142	178.5
[M]-	346.09504858	178.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.