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]+ 318.16008 173.3
[M+Na]+ 340.14202 180.3
[M-H]- 316.14552 177.6
[M+NH4]+ 335.18662 187.4
[M+K]+ 356.11596 173.0
[M+H-H2O]+ 300.15006 163.7
[M+HCOO]- 362.15100 192.1
[M+CH3COO]- 376.16665 183.1
[M+Na-2H]- 338.12747 179.0
[M]+ 317.15225 172.0
[M]- 317.15335 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.