CID 492596

Chembl34769

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CC(C)OC1=CC=CC=C1CNC(=O)C2=CC3=C(CC2)C=NC=C3
InChI
InChI=1S/C20H22N2O2/c1-14(2)24-19-6-4-3-5-18(19)13-22-20(23)16-7-8-17-12-21-10-9-15(17)11-16/h3-6,9-12,14H,7-8,13H2,1-2H3,(H,22,23)
InChIKey
GCMJLKCRIMQIEL-UHFFFAOYSA-N
Compound name
N-[(2-propan-2-yloxyphenyl)methyl]-7,8-dihydroisoquinoline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 177.4
[M+Na]+ 345.15734 182.2
[M-H]- 321.16084 182.8
[M+NH4]+ 340.20194 190.4
[M+K]+ 361.13128 177.8
[M+H-H2O]+ 305.16538 167.7
[M+HCOO]- 367.16632 196.3
[M+CH3COO]- 381.18197 212.2
[M+Na-2H]- 343.14279 181.2
[M]+ 322.16757 177.1
[M]- 322.16867 177.1
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.