CID 3041297

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

Structural Information

Molecular Formula
C16H19NO2S
SMILES
COC1=CC=C(C=C1)C(CN2CCC3=C(C2)C=CS3)O
InChI
InChI=1S/C16H19NO2S/c1-19-14-4-2-12(3-5-14)15(18)11-17-8-6-16-13(10-17)7-9-20-16/h2-5,7,9,15,18H,6,8,10-11H2,1H3
InChIKey
DUBWNBPLSNWMEG-UHFFFAOYSA-N
Compound name
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-methoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

289.11365 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12093 165.0
[M+Na]+ 312.10287 176.9
[M+NH4]+ 307.14747 174.2
[M+K]+ 328.07681 169.6
[M-H]- 288.10637 168.7
[M+Na-2H]- 310.08832 170.7
[M]+ 289.11310 168.2
[M]- 289.11420 168.2
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