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

6
Patents

275.098 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.105276 161.2
[M+Na]+ 298.087218 167.7
[M-H]- 274.090724 164.6
[M+NH4]+ 293.131823 178.0
[M+K]+ 314.061158 162.7
[M+H-H2O]+ 258.095260 154.9
[M+HCOO]- 320.096201 173.3
[M+CH3COO]- 334.111851 171.6
[M+Na-2H]- 296.072666 161.4
[M]+ 275.09745142 160.0
[M]- 275.09854858 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