CID 3031141

N-(3-piperidinobutyl)-n-(2-thienyl)propionamide oxalate

Structural Information

Molecular Formula
C16H26N2OS
SMILES
CCC(=O)N(CCC(C)N1CCCCC1)C2=CC=CS2
InChI
InChI=1S/C16H26N2OS/c1-3-15(19)18(16-8-7-13-20-16)12-9-14(2)17-10-5-4-6-11-17/h7-8,13-14H,3-6,9-12H2,1-2H3
InChIKey
JLFVZTYSETWOOC-UHFFFAOYSA-N
Compound name
N-(3-piperidin-1-ylbutyl)-N-thiophen-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17657 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18385 173.3
[M+Na]+ 317.16579 175.3
[M-H]- 293.16929 178.4
[M+NH4]+ 312.21039 189.4
[M+K]+ 333.13973 173.3
[M+H-H2O]+ 277.17383 164.9
[M+HCOO]- 339.17477 186.9
[M+CH3COO]- 353.19042 205.7
[M+Na-2H]- 315.15124 169.5
[M]+ 294.17602 172.5
[M]- 294.17712 172.5
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.