CID 492595

Chembl36502

Structural Information

Molecular Formula
C18H20N2O2
SMILES
COC1=CC=CC=C1CNC(=O)C2CCC3=C(C2)C=CN=C3
InChI
InChI=1S/C18H20N2O2/c1-22-17-5-3-2-4-16(17)12-20-18(21)14-6-7-15-11-19-9-8-13(15)10-14/h2-5,8-9,11,14H,6-7,10,12H2,1H3,(H,20,21)
InChIKey
SCQLOWZCTQGIIK-UHFFFAOYSA-N
Compound name
N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydroisoquinoline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.15247 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 169.1
[M+Na]+ 319.14169 174.1
[M-H]- 295.14519 174.3
[M+NH4]+ 314.18629 183.2
[M+K]+ 335.11563 169.8
[M+H-H2O]+ 279.14973 159.6
[M+HCOO]- 341.15067 188.3
[M+CH3COO]- 355.16632 205.7
[M+Na-2H]- 317.12714 174.1
[M]+ 296.15192 167.3
[M]- 296.15302 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.