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]+ 278.095776 161.5
[M+Na]+ 300.077718 169.6
[M-H]- 276.081224 170.9
[M+NH4]+ 295.122323 179.2
[M+K]+ 316.051658 168.3
[M+H-H2O]+ 260.085760 154.8
[M+HCOO]- 322.086701 181.3
[M+CH3COO]- 336.102351 174.2
[M+Na-2H]- 298.063166 159.9
[M]+ 277.08795142 164.5
[M]- 277.08904858 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.