CID 2744047

Oprea1_016955

Structural Information

Molecular Formula

C₁₆H₁₉ClN₄O₂

SMILES

CC1=NOC(=C1NC(=O)NN2CCCCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN4O2/c1-11-14(18-16(22)19-21-9-3-2-4-10-21)15(23-20-11)12-5-7-13(17)8-6-12/h5-8H,2-4,9-10H2,1H3,(H2,18,19,22)

InChIKey

QCQYDJNBRSOSRH-UHFFFAOYSA-N

Compound name

1-[5-(4-chlorophenyl)-3-methyl-1,2-oxazol-4-yl]-3-piperidin-1-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 334.11966 Da
Monoisotopic Mass: 3.1
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]+	335.126936	179.2
[M+Na]+	357.108878	184.8
[M-H]-	333.112384	186.4
[M+NH4]+	352.153483	190.4
[M+K]+	373.082818	180.5
[M+H-H2O]+	317.116920	169.4
[M+HCOO]-	379.117861	194.0
[M+CH3COO]-	393.133511	188.7
[M+Na-2H]-	355.094326	180.5
[M]+	334.11911142	177.9
[M]-	334.12020858	177.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.