CID 492599

N-[2-(1h-indol-2-yl)ethyl]-7,8-dihydroisoquinoline-6-carboxamide

Structural Information

Molecular Formula
C20H19N3O
SMILES
C1CC2=C(C=CN=C2)C=C1C(=O)NCCC3=CC4=CC=CC=C4N3
InChI
InChI=1S/C20H19N3O/c24-20(16-5-6-17-13-21-9-7-14(17)11-16)22-10-8-18-12-15-3-1-2-4-19(15)23-18/h1-4,7,9,11-13,23H,5-6,8,10H2,(H,22,24)
InChIKey
KTIONKKCBYCFAH-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-2-yl)ethyl]-7,8-dihydroisoquinoline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.1528 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.160076 173.3
[M+Na]+ 340.142018 180.3
[M-H]- 316.145524 177.6
[M+NH4]+ 335.186623 187.4
[M+K]+ 356.115958 173.0
[M+H-H2O]+ 300.150060 163.7
[M+HCOO]- 362.151001 192.1
[M+CH3COO]- 376.166651 183.1
[M+Na-2H]- 338.127466 179.0
[M]+ 317.15225142 172.0
[M]- 317.15334858 172.0
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.