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 162.8
[M+Na]+ 296.10796 168.3
[M-H]- 272.11146 167.2
[M+NH4]+ 291.15256 180.1
[M+K]+ 312.08190 163.8
[M+H-H2O]+ 256.11600 156.0
[M+HCOO]- 318.11694 174.8
[M+CH3COO]- 332.13259 173.1
[M+Na-2H]- 294.09341 162.2
[M]+ 273.11819 161.3
[M]- 273.11929 161.3
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