CID 3041309

Thieno(3,2-c)pyridine-5(4h)-ethanol, 6,7-dihydro-alpha-(4-chlorophenyl)-, hydrochloride

Structural Information

Molecular Formula
C15H16ClNOS
SMILES
C1CN(CC2=C1SC=C2)CC(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C15H16ClNOS/c16-13-3-1-11(2-4-13)14(18)10-17-7-5-15-12(9-17)6-8-19-15/h1-4,6,8,14,18H,5,7,9-10H2
InChIKey
VRHMMUAKTISEKV-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

293.06412 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07140 164.6
[M+Na]+ 316.05334 172.5
[M-H]- 292.05684 169.4
[M+NH4]+ 311.09794 182.5
[M+K]+ 332.02728 166.3
[M+H-H2O]+ 276.06138 158.7
[M+HCOO]- 338.06232 173.4
[M+CH3COO]- 352.07797 175.5
[M+Na-2H]- 314.03879 164.5
[M]+ 293.06357 165.8
[M]- 293.06467 165.8
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