CID 3068427

83427-66-1

Structural Information

Molecular Formula
C15H14N2OS
SMILES
C1CN(CC2=CC(=O)SC21)CC3=CC=CC=C3C#N
InChI
InChI=1S/C15H14N2OS/c16-8-11-3-1-2-4-12(11)9-17-6-5-14-13(10-17)7-15(18)19-14/h1-4,7,14H,5-6,9-10H2
InChIKey
BDSNMIVGSVEKMH-UHFFFAOYSA-N
Compound name
2-[(2-oxo-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

270.08267 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08995 159.3
[M+Na]+ 293.07189 171.3
[M+NH4]+ 288.11649 165.2
[M+K]+ 309.04583 160.5
[M-H]- 269.07539 155.9
[M+Na-2H]- 291.05734 162.5
[M]+ 270.08212 159.7
[M]- 270.08322 159.7
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

patents stripe