CID 154848950

2445784-28-9

Structural Information

Molecular Formula
C15H16N2OS
SMILES
CC(=O)N1CCC2=C(C1C3=CC=CC=C3N)C=CS2
InChI
InChI=1S/C15H16N2OS/c1-10(18)17-8-6-14-12(7-9-19-14)15(17)11-4-2-3-5-13(11)16/h2-5,7,9,15H,6,8,16H2,1H3
InChIKey
YNJIJLGHDWUJDT-UHFFFAOYSA-N
Compound name
1-[4-(2-aminophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.09833 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10561 160.7
[M+Na]+ 295.08755 172.6
[M+NH4]+ 290.13215 170.0
[M+K]+ 311.06149 165.5
[M-H]- 271.09105 165.3
[M+Na-2H]- 293.07300 166.6
[M]+ 272.09778 164.1
[M]- 272.09888 164.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.