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]+ 301.13692 170.6
[M+Na]+ 323.11886 176.7
[M-H]- 299.12236 178.5
[M+NH4]+ 318.16346 186.2
[M+K]+ 339.09280 171.4
[M+H-H2O]+ 283.12690 162.6
[M+HCOO]- 345.12784 185.5
[M+CH3COO]- 359.14349 181.1
[M+Na-2H]- 321.10431 167.6
[M]+ 300.12909 167.4
[M]- 300.13019 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.