CID 3104233

N-[2,2,2-trichloro-1-(4-methylpiperidin-1-yl)ethyl]thiophene-2-carboxamide

Structural Information

Molecular Formula
C13H17Cl3N2OS
SMILES
CC1CCN(CC1)C(C(Cl)(Cl)Cl)NC(=O)C2=CC=CS2
InChI
InChI=1S/C13H17Cl3N2OS/c1-9-4-6-18(7-5-9)12(13(14,15)16)17-11(19)10-3-2-8-20-10/h2-3,8-9,12H,4-7H2,1H3,(H,17,19)
InChIKey
WYVAIAVZUYFGJH-UHFFFAOYSA-N
Compound name
N-[2,2,2-trichloro-1-(4-methylpiperidin-1-yl)ethyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.01273 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.02001 179.1
[M+Na]+ 377.00195 184.3
[M-H]- 353.00545 182.4
[M+NH4]+ 372.04655 193.9
[M+K]+ 392.97589 178.6
[M+H-H2O]+ 337.00999 174.0
[M+HCOO]- 399.01093 176.9
[M+CH3COO]- 413.02658 207.1
[M+Na-2H]- 374.98740 175.7
[M]+ 354.01218 179.0
[M]- 354.01328 179.0
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.