CID 3047279

N-(2-(2-methyl-3-indolyl)ethyl)nicotinamide

Structural Information

Molecular Formula

C₁₇H₁₇N₃O

SMILES

CC1=C(C2=CC=CC=C2N1)CCNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H17N3O/c1-12-14(15-6-2-3-7-16(15)20-12)8-10-19-17(21)13-5-4-9-18-11-13/h2-7,9,11,20H,8,10H2,1H3,(H,19,21)

InChIKey

ZYQBXAZSRSUNTE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 279.13718 Da
Monoisotopic Mass: 2.6
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]+	280.144456	164.6
[M+Na]+	302.126398	172.8
[M-H]-	278.129904	168.7
[M+NH4]+	297.171003	179.7
[M+K]+	318.100338	166.6
[M+H-H2O]+	262.134440	155.7
[M+HCOO]-	324.135381	186.3
[M+CH3COO]-	338.151031	175.8
[M+Na-2H]-	300.111846	170.0
[M]+	279.13663142	165.0
[M]-	279.13772858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe