CID 3055591

Brn 0429010

Structural Information

Molecular Formula

C₁₈H₁₉N₃O₂

SMILES

COC1=CC2=C(C=C1)NC=C2CCCNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H19N3O2/c1-23-15-6-7-17-16(10-15)13(12-21-17)4-3-9-20-18(22)14-5-2-8-19-11-14/h2,5-8,10-12,21H,3-4,9H2,1H3,(H,20,22)

InChIKey

UPAYLPSFKINTKG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.14774 Da
Monoisotopic Mass: 2.5
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]+	310.155016	171.9
[M+Na]+	332.136958	179.4
[M-H]-	308.140464	175.8
[M+NH4]+	327.181563	185.6
[M+K]+	348.110898	173.7
[M+H-H2O]+	292.145000	162.6
[M+HCOO]-	354.145941	193.4
[M+CH3COO]-	368.161591	204.8
[M+Na-2H]-	330.122406	176.8
[M]+	309.14719142	174.0
[M]-	309.14828858	174.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.