CID 3041291

6,7-dihydro-beta-methyl-alpha-phenylthieno(3,2-c)pyridine-5(4h)-ethanol hydrochloride

Structural Information

Molecular Formula
C16H19NOS
SMILES
CC(C(C1=CC=CC=C1)O)N2CCC3=C(C2)C=CS3
InChI
InChI=1S/C16H19NOS/c1-12(16(18)13-5-3-2-4-6-13)17-9-7-15-14(11-17)8-10-19-15/h2-6,8,10,12,16,18H,7,9,11H2,1H3
InChIKey
FDZOZSUTVQRWLE-UHFFFAOYSA-N
Compound name
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

273.11874 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12602 161.2
[M+Na]+ 296.10796 172.8
[M+NH4]+ 291.15256 170.8
[M+K]+ 312.08190 165.7
[M-H]- 272.11146 165.1
[M+Na-2H]- 294.09341 167.3
[M]+ 273.11819 164.4
[M]- 273.11929 164.4
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