CID 207354

29745-42-4

Structural Information

Molecular Formula

C₁₇H₁₇N₃O₂

SMILES

COC1=CC2=C(C=C1)NC=C2CCNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H17N3O2/c1-22-14-4-5-16-15(9-14)12(11-20-16)6-8-19-17(21)13-3-2-7-18-10-13/h2-5,7,9-11,20H,6,8H2,1H3,(H,19,21)

InChIKey

JAXFNBSXSXDREO-UHFFFAOYSA-N

Compound name

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 295.13208 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	296.13936	167.4
[M+Na]+	318.12130	175.3
[M-H]-	294.12480	171.5
[M+NH4]+	313.16590	181.7
[M+K]+	334.09524	169.9
[M+H-H2O]+	278.12934	158.3
[M+HCOO]-	340.13028	189.3
[M+CH3COO]-	354.14593	178.4
[M+Na-2H]-	316.10675	172.9
[M]+	295.13153	169.2
[M]-	295.13263	169.2

Literature stripe

literature stripe

Patent stripe

patents stripe