CID 492598

Chembl35077

Structural Information

Molecular Formula
C20H22N2O3
SMILES
COC1=CC(=C(C=C1)OC)CCNC(=O)C2=CC3=C(CC2)C=NC=C3
InChI
InChI=1S/C20H22N2O3/c1-24-18-5-6-19(25-2)15(12-18)8-10-22-20(23)16-3-4-17-13-21-9-7-14(17)11-16/h5-7,9,11-13H,3-4,8,10H2,1-2H3,(H,22,23)
InChIKey
RQMRDIMTZMSOPO-UHFFFAOYSA-N
Compound name
N-[2-(2,5-dimethoxyphenyl)ethyl]-7,8-dihydroisoquinoline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.16306 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17034 180.6
[M+Na]+ 361.15228 186.4
[M-H]- 337.15578 186.2
[M+NH4]+ 356.19688 193.2
[M+K]+ 377.12622 182.3
[M+H-H2O]+ 321.16032 170.7
[M+HCOO]- 383.16126 200.6
[M+CH3COO]- 397.17691 214.6
[M+Na-2H]- 359.13773 184.9
[M]+ 338.16251 182.7
[M]- 338.16361 182.7
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.