CID 3041277

Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-(3,4,5-trimethoxybenzyl)-, hydrochloride

Structural Information

Molecular Formula
C17H21NO3S
SMILES
COC1=CC(=CC(=C1OC)OC)CN2CCC3=C(C2)C=CS3
InChI
InChI=1S/C17H21NO3S/c1-19-14-8-12(9-15(20-2)17(14)21-3)10-18-6-4-16-13(11-18)5-7-22-16/h5,7-9H,4,6,10-11H2,1-3H3
InChIKey
WWCDFGZRMWMINX-UHFFFAOYSA-N
Compound name
5-[(3,4,5-trimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

319.1242 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.13148 173.6
[M+Na]+ 342.11342 182.0
[M-H]- 318.11692 180.1
[M+NH4]+ 337.15802 190.6
[M+K]+ 358.08736 178.3
[M+H-H2O]+ 302.12146 166.4
[M+HCOO]- 364.12240 189.2
[M+CH3COO]- 378.13805 206.1
[M+Na-2H]- 340.09887 173.3
[M]+ 319.12365 179.4
[M]- 319.12475 179.4
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