CID 3062548

N-(1-methyl-2-piperidinoethyl)-n-(2-thienyl)propionamide oxalate

Structural Information

Molecular Formula
C15H24N2OS
SMILES
CCC(=O)N(C1=CC=CS1)C(C)CN2CCCCC2
InChI
InChI=1S/C15H24N2OS/c1-3-14(18)17(15-8-7-11-19-15)13(2)12-16-9-5-4-6-10-16/h7-8,11,13H,3-6,9-10,12H2,1-2H3
InChIKey
NDAXACPFYPRIII-UHFFFAOYSA-N
Compound name
N-(1-piperidin-1-ylpropan-2-yl)-N-thiophen-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.16095 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16823 168.9
[M+Na]+ 303.15017 171.4
[M-H]- 279.15367 174.3
[M+NH4]+ 298.19477 185.6
[M+K]+ 319.12411 169.6
[M+H-H2O]+ 263.15821 160.7
[M+HCOO]- 325.15915 182.9
[M+CH3COO]- 339.17480 202.8
[M+Na-2H]- 301.13562 165.6
[M]+ 280.16040 167.8
[M]- 280.16150 167.8
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.