CID 2743513

Maybridge3_006766

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂O₃

SMILES

CC1=CC(=NO1)COC(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H11ClN2O3/c1-8-6-11(15-18-8)7-17-12(16)14-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,14,16)

InChIKey

GZEHESTWXCEPDB-UHFFFAOYSA-N

Compound name

(5-methyl-1,2-oxazol-3-yl)methyl N-(4-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 266.0458 Da
Monoisotopic Mass: 2.5
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]+	267.053076	157.4
[M+Na]+	289.035018	166.5
[M-H]-	265.038524	164.0
[M+NH4]+	284.079623	173.7
[M+K]+	305.008958	163.7
[M+H-H2O]+	249.043060	150.3
[M+HCOO]-	311.044001	177.2
[M+CH3COO]-	325.059651	194.3
[M+Na-2H]-	287.020466	162.0
[M]+	266.04525142	162.6
[M]-	266.04634858	162.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.