CID 3076178

Brn 5816914

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂O₂

SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=NOC(=C2)C

InChI

InChI=1S/C12H11ClN2O2/c1-7-4-3-5-9(13)11(7)14-12(16)10-6-8(2)17-15-10/h3-6H,1-2H3,(H,14,16)

InChIKey

BMPNQHJHXIRYBE-UHFFFAOYSA-N

Compound name

N-(2-chloro-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 250.0509 Da
Monoisotopic Mass: 2.9
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]+	251.058176	154.7
[M+Na]+	273.040118	164.8
[M-H]-	249.043624	161.6
[M+NH4]+	268.084723	172.0
[M+K]+	289.014058	161.4
[M+H-H2O]+	233.048160	148.0
[M+HCOO]-	295.049101	174.3
[M+CH3COO]-	309.064751	194.1
[M+Na-2H]-	271.025566	158.5
[M]+	250.05035142	158.9
[M]-	250.05144858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe