CID 3046367

2-(3,4,5-tetramethoxybenzyl)-1,2,3,6-tetrahydropyridine hydrochloride

Structural Information

Molecular Formula
C15H21NO3
SMILES
COC1=CC(=CC(=C1OC)OC)CC2CC=CCN2
InChI
InChI=1S/C15H21NO3/c1-17-13-9-11(8-12-6-4-5-7-16-12)10-14(18-2)15(13)19-3/h4-5,9-10,12,16H,6-8H2,1-3H3
InChIKey
DQNJGXONRDHTII-UHFFFAOYSA-N
Compound name
2-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 161.5
[M+Na]+ 286.141348 167.7
[M-H]- 262.144854 165.1
[M+NH4]+ 281.185953 176.2
[M+K]+ 302.115288 164.7
[M+H-H2O]+ 246.149390 153.3
[M+HCOO]- 308.150331 180.4
[M+CH3COO]- 322.165981 195.3
[M+Na-2H]- 284.126796 164.5
[M]+ 263.15158142 162.2
[M]- 263.15267858 162.2
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

No patent data available for this compound.