CID 3041305

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

Structural Information

Molecular Formula
C15H17NO2S
SMILES
C1CN(CC2=C1SC=C2)CC(C3=CC=C(C=C3)O)O
InChI
InChI=1S/C15H17NO2S/c17-13-3-1-11(2-4-13)14(18)10-16-7-5-15-12(9-16)6-8-19-15/h1-4,6,8,14,17-18H,5,7,9-10H2
InChIKey
HXRQKOOFERIYEV-UHFFFAOYSA-N
Compound name
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-hydroxyethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

275.098 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10528 161.2
[M+Na]+ 298.08722 167.7
[M-H]- 274.09072 164.6
[M+NH4]+ 293.13182 178.0
[M+K]+ 314.06116 162.7
[M+H-H2O]+ 258.09526 154.9
[M+HCOO]- 320.09620 173.3
[M+CH3COO]- 334.11185 171.6
[M+Na-2H]- 296.07267 161.4
[M]+ 275.09745 160.0
[M]- 275.09855 160.0
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