CID 3041289

53885-49-7

Structural Information

Molecular Formula
C15H17NS
SMILES
C1CN(CC2=C1SC=C2)CCC3=CC=CC=C3
InChI
InChI=1S/C15H17NS/c1-2-4-13(5-3-1)6-9-16-10-7-15-14(12-16)8-11-17-15/h1-5,8,11H,6-7,9-10,12H2
InChIKey
RBJAIOCVZDGPSC-UHFFFAOYSA-N
Compound name
5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

243.10817 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.115446 154.1
[M+Na]+ 266.097388 161.6
[M-H]- 242.100894 160.0
[M+NH4]+ 261.141993 173.7
[M+K]+ 282.071328 156.6
[M+H-H2O]+ 226.105430 147.0
[M+HCOO]- 288.106371 170.0
[M+CH3COO]- 302.122021 166.1
[M+Na-2H]- 264.082836 156.4
[M]+ 243.10762142 153.8
[M]- 243.10871858 153.8
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