CID 22339

Novocamide

Structural Information

Molecular Formula

C₁₂H₁₉N₃O

SMILES

CCN(CC)CCNC(=O)C1=CC=NC=C1

InChI

InChI=1S/C12H19N3O/c1-3-15(4-2)10-9-14-12(16)11-5-7-13-8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,14,16)

InChIKey

NATGYNRBXIXCAS-UHFFFAOYSA-N

Compound name

N-[2-(diethylamino)ethyl]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 221.15282 Da
Monoisotopic Mass: 1.4
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]+	222.160096	152.8
[M+Na]+	244.142038	157.4
[M-H]-	220.145544	155.8
[M+NH4]+	239.186643	169.6
[M+K]+	260.115978	156.3
[M+H-H2O]+	204.150080	144.5
[M+HCOO]-	266.151021	177.1
[M+CH3COO]-	280.166671	197.6
[M+Na-2H]-	242.127486	158.1
[M]+	221.15227142	154.1
[M]-	221.15336858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe