CID 3041279

53885-38-4

Structural Information

Molecular Formula
C15H17NOS
SMILES
C1CN(CC2=C1SC=C2)CC(C3=CC=CC=C3)O
InChI
InChI=1S/C15H17NOS/c17-14(12-4-2-1-3-5-12)11-16-8-6-15-13(10-16)7-9-18-15/h1-5,7,9,14,17H,6,8,10-11H2
InChIKey
AGGVQJPRSPQMMB-UHFFFAOYSA-N
Compound name
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

259.1031 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.11038 158.0
[M+Na]+ 282.09232 164.4
[M-H]- 258.09582 162.5
[M+NH4]+ 277.13692 176.0
[M+K]+ 298.06626 159.6
[M+H-H2O]+ 242.10036 151.2
[M+HCOO]- 304.10130 171.5
[M+CH3COO]- 318.11695 169.0
[M+Na-2H]- 280.07777 159.0
[M]+ 259.10255 156.7
[M]- 259.10365 156.7
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