CID 3041313

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 165.9
[M+Na]+ 312.10287 172.4
[M-H]- 288.10637 170.6
[M+NH4]+ 307.14747 182.9
[M+K]+ 328.07681 168.0
[M+H-H2O]+ 272.11091 159.0
[M+HCOO]- 334.11185 179.2
[M+CH3COO]- 348.12750 176.6
[M+Na-2H]- 310.08832 165.9
[M]+ 289.11310 166.8
[M]- 289.11420 166.8
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