CID 507353

N-[2-(1h-indol-3-yl)ethyl]isoquinoline-6-carboxamide

Structural Information

Molecular Formula
C20H17N3O
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CC4=C(C=C3)C=NC=C4
InChI
InChI=1S/C20H17N3O/c24-20(15-5-6-16-12-21-9-7-14(16)11-15)22-10-8-17-13-23-19-4-2-1-3-18(17)19/h1-7,9,11-13,23H,8,10H2,(H,22,24)
InChIKey
BWCLOMOASBKDCI-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]isoquinoline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.13718 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14446 172.5
[M+Na]+ 338.12640 180.6
[M-H]- 314.12990 177.3
[M+NH4]+ 333.17100 186.8
[M+K]+ 354.10034 173.1
[M+H-H2O]+ 298.13444 163.0
[M+HCOO]- 360.13538 192.8
[M+CH3COO]- 374.15103 182.9
[M+Na-2H]- 336.11185 179.3
[M]+ 315.13663 172.7
[M]- 315.13773 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.