CID 16783198

953894-24-1

Structural Information

Molecular Formula
C15H17ClN2S
SMILES
C1CN(CC2=C1SC=C2)C(CN)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H17ClN2S/c16-13-3-1-11(2-4-13)14(9-17)18-7-5-15-12(10-18)6-8-19-15/h1-4,6,8,14H,5,7,9-10,17H2
InChIKey
RVVLOQAOXHQBNA-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.0801 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08738 165.2
[M+Na]+ 315.06932 172.8
[M-H]- 291.07282 170.7
[M+NH4]+ 310.11392 183.2
[M+K]+ 331.04326 166.3
[M+H-H2O]+ 275.07736 158.8
[M+HCOO]- 337.07830 175.6
[M+CH3COO]- 351.09395 176.1
[M+Na-2H]- 313.05477 165.1
[M]+ 292.07955 165.2
[M]- 292.08065 165.2
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.