CID 66200641

5-(5-chlorothiophen-2-yl)-4-ethyl-1,2-oxazol-3-amine

Structural Information

Molecular Formula
C9H9ClN2OS
SMILES
CCC1=C(ON=C1N)C2=CC=C(S2)Cl
InChI
InChI=1S/C9H9ClN2OS/c1-2-5-8(13-12-9(5)11)6-3-4-7(10)14-6/h3-4H,2H2,1H3,(H2,11,12)
InChIKey
IOOWFGHLAUOHNE-UHFFFAOYSA-N
Compound name
5-(5-chlorothiophen-2-yl)-4-ethyl-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.0124 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.01968 147.4
[M+Na]+ 251.00162 160.3
[M-H]- 227.00512 155.1
[M+NH4]+ 246.04622 168.3
[M+K]+ 266.97556 156.4
[M+H-H2O]+ 211.00966 142.4
[M+HCOO]- 273.01060 165.1
[M+CH3COO]- 287.02625 162.3
[M+Na-2H]- 248.98707 148.1
[M]+ 228.01185 153.9
[M]- 228.01295 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.