CID 492597

Chembl35589

Structural Information

Molecular Formula
C19H20N2O2
SMILES
COC1=CC=CC=C1CCNC(=O)C2=CC3=C(CC2)C=NC=C3
InChI
InChI=1S/C19H20N2O2/c1-23-18-5-3-2-4-14(18)9-11-21-19(22)16-6-7-17-13-20-10-8-15(17)12-16/h2-5,8,10,12-13H,6-7,9,11H2,1H3,(H,21,22)
InChIKey
JTPSTJGSWMFAPK-UHFFFAOYSA-N
Compound name
N-[2-(2-methoxyphenyl)ethyl]-7,8-dihydroisoquinoline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.15247 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 172.7
[M+Na]+ 331.14169 178.2
[M-H]- 307.14519 178.1
[M+NH4]+ 326.18629 186.3
[M+K]+ 347.11563 173.5
[M+H-H2O]+ 291.14973 163.0
[M+HCOO]- 353.15067 192.9
[M+CH3COO]- 367.16632 208.3
[M+Na-2H]- 329.12714 178.2
[M]+ 308.15192 172.7
[M]- 308.15302 172.7
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.