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 160.7
[M+Na]+ 298.08722 172.1
[M+NH4]+ 293.13182 169.6
[M+K]+ 314.06116 165.5
[M-H]- 274.09072 163.8
[M+Na-2H]- 296.07267 166.0
[M]+ 275.09745 163.6
[M]- 275.09855 163.6
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