CID 9574840

Schembl2999681

Structural Information

Molecular Formula

C₁₇H₂₇N₃O

SMILES

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

InChI

InChI=1S/C17H27N3O/c1-2-3-4-5-6-7-8-9-10-13-19-20-17(21)16-11-14-18-15-12-16/h11-15H,2-10H2,1H3,(H,20,21)/b19-13+

InChIKey

ZZMDIYFSLOQMAP-CPNJWEJPSA-N

Compound name

N-[(E)-undecylideneamino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 289.21542 Da
Monoisotopic Mass: 4.7
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]+	290.22270	173.5
[M+Na]+	312.20464	176.5
[M-H]-	288.20814	175.4
[M+NH4]+	307.24924	187.6
[M+K]+	328.17858	173.1
[M+H-H2O]+	272.21268	164.1
[M+HCOO]-	334.21362	197.3
[M+CH3COO]-	348.22927	210.3
[M+Na-2H]-	310.19009	177.4
[M]+	289.21487	176.4
[M]-	289.21597	176.4

Literature stripe

literature stripe

Patent stripe

patents stripe