CID 216884

1-pyrrolidineacetamide, n-(3-(2-thienyl)-5-isoxazolyl)-, monohydrochloride

Structural Information

Molecular Formula
C13H15N3O2S
SMILES
C1CCN(C1)CC(=O)NC2=CC(=NO2)C3=CC=CS3
InChI
InChI=1S/C13H15N3O2S/c17-12(9-16-5-1-2-6-16)14-13-8-10(15-18-13)11-4-3-7-19-11/h3-4,7-8H,1-2,5-6,9H2,(H,14,17)
InChIKey
SPEGZUISJGACCD-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-yl-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0885 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09578 161.5
[M+Na]+ 300.07772 169.6
[M-H]- 276.08122 170.9
[M+NH4]+ 295.12232 179.2
[M+K]+ 316.05166 168.3
[M+H-H2O]+ 260.08576 154.8
[M+HCOO]- 322.08670 181.3
[M+CH3COO]- 336.10235 174.2
[M+Na-2H]- 298.06317 159.9
[M]+ 277.08795 164.5
[M]- 277.08905 164.5
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.