CID 3041285

Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((3-methoxyphenyl)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C15H17NOS
SMILES
COC1=CC=CC(=C1)CN2CCC3=C(C2)C=CS3
InChI
InChI=1S/C15H17NOS/c1-17-14-4-2-3-12(9-14)10-16-7-5-15-13(11-16)6-8-18-15/h2-4,6,8-9H,5,7,10-11H2,1H3
InChIKey
APRNTZNTWGGMST-UHFFFAOYSA-N
Compound name
5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

259.1031 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.11038 157.5
[M+Na]+ 282.09232 171.0
[M+NH4]+ 277.13692 167.9
[M+K]+ 298.06626 162.3
[M-H]- 258.09582 162.5
[M+Na-2H]- 280.07777 164.7
[M]+ 259.10255 161.5
[M]- 259.10365 161.5
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