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

7
Patents

273.11874 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.126016 162.8
[M+Na]+ 296.107958 168.3
[M-H]- 272.111464 167.2
[M+NH4]+ 291.152563 180.1
[M+K]+ 312.081898 163.8
[M+H-H2O]+ 256.116000 156.0
[M+HCOO]- 318.116941 174.8
[M+CH3COO]- 332.132591 173.1
[M+Na-2H]- 294.093406 162.2
[M]+ 273.11819142 161.3
[M]- 273.11928858 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