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

19
Patents

319.1242 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.131476 173.6
[M+Na]+ 342.113418 182.0
[M-H]- 318.116924 180.1
[M+NH4]+ 337.158023 190.6
[M+K]+ 358.087358 178.3
[M+H-H2O]+ 302.121460 166.4
[M+HCOO]- 364.122401 189.2
[M+CH3COO]- 378.138051 206.1
[M+Na-2H]- 340.098866 173.3
[M]+ 319.12365142 179.4
[M]- 319.12474858 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