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]+ 273.105606 161.0
[M+Na]+ 295.087548 168.2
[M-H]- 271.091054 167.2
[M+NH4]+ 290.132153 179.2
[M+K]+ 311.061488 163.6
[M+H-H2O]+ 255.095590 153.9
[M+HCOO]- 317.096531 177.1
[M+CH3COO]- 331.112181 172.5
[M+Na-2H]- 293.072996 162.5
[M]+ 272.09778142 160.4
[M]- 272.09887858 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.