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

4
Patents

243.10817 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11545 154.1
[M+Na]+ 266.09739 161.6
[M-H]- 242.10089 160.0
[M+NH4]+ 261.14199 173.7
[M+K]+ 282.07133 156.6
[M+H-H2O]+ 226.10543 147.0
[M+HCOO]- 288.10637 170.0
[M+CH3COO]- 302.12202 166.1
[M+Na-2H]- 264.08284 156.4
[M]+ 243.10762 153.8
[M]- 243.10872 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