CID 2090156

4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-amine

Structural Information

Molecular Formula
C17H20N2OS
SMILES
CC1=C(SC(=C1C(=O)N2CCCCC2)N)C3=CC=CC=C3
InChI
InChI=1S/C17H20N2OS/c1-12-14(17(20)19-10-6-3-7-11-19)16(18)21-15(12)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11,18H2,1H3
InChIKey
NERRUASWXPQBFF-UHFFFAOYSA-N
Compound name
(2-amino-4-methyl-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

300.12964 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.136916 170.6
[M+Na]+ 323.118858 176.7
[M-H]- 299.122364 178.5
[M+NH4]+ 318.163463 186.2
[M+K]+ 339.092798 171.4
[M+H-H2O]+ 283.126900 162.6
[M+HCOO]- 345.127841 185.5
[M+CH3COO]- 359.143491 181.1
[M+Na-2H]- 321.104306 167.6
[M]+ 300.12909142 167.4
[M]- 300.13018858 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.