CID 3049280

2-ethylaminomethyl-5-(2-chlorophenyl)oxazole

Structural Information

Molecular Formula

C₁₂H₁₃ClN₂O

SMILES

CCNCC1=NC=C(O1)C2=CC=CC=C2Cl

InChI

InChI=1S/C12H13ClN2O/c1-2-14-8-12-15-7-11(16-12)9-5-3-4-6-10(9)13/h3-7,14H,2,8H2,1H3

InChIKey

KRKWHPYSWPRTLL-UHFFFAOYSA-N

Compound name

N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 236.07164 Da
Monoisotopic Mass: 2.4
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]+	237.078916	152.1
[M+Na]+	259.060858	161.3
[M-H]-	235.064364	158.3
[M+NH4]+	254.105463	169.8
[M+K]+	275.034798	157.4
[M+H-H2O]+	219.068900	145.0
[M+HCOO]-	281.069841	172.2
[M+CH3COO]-	295.085491	191.4
[M+Na-2H]-	257.046306	157.7
[M]+	236.07109142	155.8
[M]-	236.07218858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe