CID 13341658

54903-07-0

Structural Information

Molecular Formula
C14H15NS
SMILES
C1CN(CC2=C1SC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C14H15NS/c1-2-4-12(5-3-1)10-15-8-6-14-13(11-15)7-9-16-14/h1-5,7,9H,6,8,10-11H2
InChIKey
GUPPGBJHJWFJCP-UHFFFAOYSA-N
Compound name
5-benzyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

229.09251 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09979 149.7
[M+Na]+ 252.08173 157.6
[M-H]- 228.08523 155.8
[M+NH4]+ 247.12633 169.9
[M+K]+ 268.05567 152.9
[M+H-H2O]+ 212.08977 142.8
[M+HCOO]- 274.09071 165.9
[M+CH3COO]- 288.10636 162.1
[M+Na-2H]- 250.06718 152.4
[M]+ 229.09196 149.1
[M]- 229.09306 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe