CID 492597

N-[2-(2-methoxyphenyl)ethyl]-7,8-dihydroisoquinoline-6-carboxamide

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]+ 309.159746 172.7
[M+Na]+ 331.141688 178.2
[M-H]- 307.145194 178.1
[M+NH4]+ 326.186293 186.3
[M+K]+ 347.115628 173.5
[M+H-H2O]+ 291.149730 163.0
[M+HCOO]- 353.150671 192.9
[M+CH3COO]- 367.166321 208.3
[M+Na-2H]- 329.127136 178.2
[M]+ 308.15192142 172.7
[M]- 308.15301858 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

literature stripe

Patent stripe

No patent data available for this compound.