CID 31556

22895-75-6

Structural Information

Molecular Formula

C₁₆H₂₅NO₂

SMILES

CCCCCC1C2=CC(=C(C=C2CCN1)OC)OC

InChI

InChI=1S/C16H25NO2/c1-4-5-6-7-14-13-11-16(19-3)15(18-2)10-12(13)8-9-17-14/h10-11,14,17H,4-9H2,1-3H3

InChIKey

HEXJYLSBFSMHSC-UHFFFAOYSA-N

Compound name

6,7-dimethoxy-1-pentyl-1,2,3,4-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 263.18854 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.19582	164.1
[M+Na]+	286.17776	176.3
[M+NH4]+	281.22236	172.1
[M+K]+	302.15170	168.5
[M-H]-	262.18126	165.9
[M+Na-2H]-	284.16321	168.1
[M]+	263.18799	166.3
[M]-	263.18909	166.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.