CID 3484025

4-methyl-n-phenyl-4h,5h,6h,7h-thieno[3,2-c]pyridine-5-carboxamide

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 161.0
[M+Na]+ 295.08755 168.2
[M-H]- 271.09105 167.2
[M+NH4]+ 290.13215 179.2
[M+K]+ 311.06149 163.6
[M+H-H2O]+ 255.09559 153.9
[M+HCOO]- 317.09653 177.1
[M+CH3COO]- 331.11218 172.5
[M+Na-2H]- 293.07300 162.5
[M]+ 272.09778 160.4
[M]- 272.09888 160.4
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.