CID 6485298

4-phenyl-4h,5h,6h,7h-thieno[3,2-c]pyridine

Structural Information

Molecular Formula
C13H13NS
SMILES
C1CNC(C2=C1SC=C2)C3=CC=CC=C3
InChI
InChI=1S/C13H13NS/c1-2-4-10(5-3-1)13-11-7-9-15-12(11)6-8-14-13/h1-5,7,9,13-14H,6,8H2
InChIKey
BKXOJOFWZSFANH-UHFFFAOYSA-N
Compound name
4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

18
Patents

215.07687 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08415 145.0
[M+Na]+ 238.06609 152.9
[M-H]- 214.06959 149.9
[M+NH4]+ 233.11069 165.1
[M+K]+ 254.04003 147.6
[M+H-H2O]+ 198.07413 138.7
[M+HCOO]- 260.07507 160.1
[M+CH3COO]- 274.09072 157.2
[M+Na-2H]- 236.05154 148.0
[M]+ 215.07632 142.3
[M]- 215.07742 142.3
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