CID 3484025

Chembl2032167

Structural Information

Molecular Formula
C15H16N2OS
SMILES
CC1C2=C(CCN1C(=O)NC3=CC=CC=C3)SC=C2
InChI
InChI=1S/C15H16N2OS/c1-11-13-8-10-19-14(13)7-9-17(11)15(18)16-12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3,(H,16,18)
InChIKey
ZGDJKBIGXVLSEZ-UHFFFAOYSA-N
Compound name
4-methyl-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.09833 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10561 160.6
[M+Na]+ 295.08755 172.5
[M+NH4]+ 290.13215 170.1
[M+K]+ 311.06149 164.9
[M-H]- 271.09105 165.3
[M+Na-2H]- 293.07300 167.2
[M]+ 272.09778 164.0
[M]- 272.09888 164.0
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.