CID 3068423

5-(1-(2-chlorophenyl)ethyl)-5,6,7,7a-tetrahydro-4h-thieno(3,2-c)pyridin-2-one hydrochloride

Structural Information

Molecular Formula
C15H16ClNOS
SMILES
CC(C1=CC=CC=C1Cl)N2CCC3C(=CC(=O)S3)C2
InChI
InChI=1S/C15H16ClNOS/c1-10(12-4-2-3-5-13(12)16)17-7-6-14-11(9-17)8-15(18)19-14/h2-5,8,10,14H,6-7,9H2,1H3
InChIKey
TWROMOHFQXTXIE-UHFFFAOYSA-N
Compound name
5-[1-(2-chlorophenyl)ethyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

293.06412 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07140 164.1
[M+Na]+ 316.05334 177.5
[M+NH4]+ 311.09794 174.3
[M+K]+ 332.02728 169.0
[M-H]- 292.05684 168.5
[M+Na-2H]- 314.03879 169.9
[M]+ 293.06357 168.1
[M]- 293.06467 168.1
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

patents stripe