CID 234345

N,n-diisopropylisonicotinamide

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CC(C)N(C(C)C)C(=O)C1=CC=NC=C1

InChI

InChI=1S/C12H18N2O/c1-9(2)14(10(3)4)12(15)11-5-7-13-8-6-11/h5-10H,1-4H3

InChIKey

HLRSGDOBQLTYNO-UHFFFAOYSA-N

Compound name

N,N-di(propan-2-yl)pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 44
Patents: 206.1419 Da
Monoisotopic Mass: 1.9
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]+	207.14918	148.3
[M+Na]+	229.13112	158.9
[M+NH4]+	224.17572	155.8
[M+K]+	245.10506	154.2
[M-H]-	205.13462	150.0
[M+Na-2H]-	227.11657	154.2
[M]+	206.14135	150.1
[M]-	206.14245	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe