CID 2744654

Ns00016068

Structural Information

Molecular Formula

C₁₁H₉ClN₄O₃

SMILES

C1=CC(=CC(=C1)Cl)NC(=O)ON=C(C2=CC=NO2)N

InChI

InChI=1S/C11H9ClN4O3/c12-7-2-1-3-8(6-7)15-11(17)19-16-10(13)9-4-5-14-18-9/h1-6H,(H2,13,16)(H,15,17)

InChIKey

WXRULVRFRCOVPH-UHFFFAOYSA-N

Compound name

[[amino(1,2-oxazol-5-yl)methylidene]amino] N-(3-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 280.03632 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]+	281.043596	160.9
[M+Na]+	303.025538	168.1
[M-H]-	279.029044	168.3
[M+NH4]+	298.070143	175.9
[M+K]+	318.999478	166.0
[M+H-H2O]+	263.033580	152.7
[M+HCOO]-	325.034521	183.2
[M+CH3COO]-	339.050171	201.8
[M+Na-2H]-	301.010986	165.9
[M]+	280.03577142	163.5
[M]-	280.03686858	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.