CID 3050045

N-((1-ethyl-2-pyrrolidinyl)methyl)-4-methoxynicotinamide

Structural Information

Molecular Formula

C₁₄H₂₁N₃O₂

SMILES

CCN1CCCC1CNC(=O)C2=C(C=CN=C2)OC

InChI

InChI=1S/C14H21N3O2/c1-3-17-8-4-5-11(17)9-16-14(18)12-10-15-7-6-13(12)19-2/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,16,18)

InChIKey

KRSHPMAEURCNRM-UHFFFAOYSA-N

Compound name

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 263.1634 Da
Monoisotopic Mass: 1.1
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]+	264.170676	162.4
[M+Na]+	286.152618	167.7
[M-H]-	262.156124	165.9
[M+NH4]+	281.197223	177.6
[M+K]+	302.126558	165.1
[M+H-H2O]+	246.160660	153.3
[M+HCOO]-	308.161601	182.7
[M+CH3COO]-	322.177251	198.5
[M+Na-2H]-	284.138066	163.8
[M]+	263.16285142	161.9
[M]-	263.16394858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe