CID 58696

Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-2-(2-piperidinoethyl)-, dihydrochloride

Structural Information

Molecular Formula
C17H26N2O
SMILES
COC1=CC2=C(CN(CC2)CCN3CCCCC3)C=C1
InChI
InChI=1S/C17H26N2O/c1-20-17-6-5-16-14-19(10-7-15(16)13-17)12-11-18-8-3-2-4-9-18/h5-6,13H,2-4,7-12,14H2,1H3
InChIKey
HOEUKTNLQAYGIG-UHFFFAOYSA-N
Compound name
6-methoxy-2-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2045 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.211776 168.2
[M+Na]+ 297.193718 171.4
[M-H]- 273.197224 170.8
[M+NH4]+ 292.238323 182.0
[M+K]+ 313.167658 167.2
[M+H-H2O]+ 257.201760 157.9
[M+HCOO]- 319.202701 181.5
[M+CH3COO]- 333.218351 176.9
[M+Na-2H]- 295.179166 171.0
[M]+ 274.20395142 162.8
[M]- 274.20504858 162.8
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.