CID 174120

Fadae

Structural Information

Molecular Formula

C₁₆H₂₇N₃O

SMILES

CCCCC1=CN=C(C=C1)C(=O)NCCN(CC)CC

InChI

InChI=1S/C16H27N3O/c1-4-7-8-14-9-10-15(18-13-14)16(20)17-11-12-19(5-2)6-3/h9-10,13H,4-8,11-12H2,1-3H3,(H,17,20)

InChIKey

ACBTXRCJPKLVJR-UHFFFAOYSA-N

Compound name

5-butyl-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3
Patents: 277.21542 Da
Monoisotopic Mass: 3.1
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]+	278.22270	171.0
[M+Na]+	300.20464	174.8
[M-H]-	276.20814	173.6
[M+NH4]+	295.24924	185.9
[M+K]+	316.17858	172.8
[M+H-H2O]+	260.21268	162.2
[M+HCOO]-	322.21362	193.9
[M+CH3COO]-	336.22927	210.8
[M+Na-2H]-	298.19009	173.5
[M]+	277.21487	174.1
[M]-	277.21597	174.1

Literature stripe

literature stripe

Patent stripe

patents stripe