CID 3059724

Brn 5605456

Structural Information

Molecular Formula

C₂₀H₂₆N₄O₂

SMILES

C1=CC(=CN=C1)C(=O)NCCCCCCCCNC(=O)C2=CN=CC=C2

InChI

InChI=1S/C20H26N4O2/c25-19(17-9-7-11-21-15-17)23-13-5-3-1-2-4-6-14-24-20(26)18-10-8-12-22-16-18/h7-12,15-16H,1-6,13-14H2,(H,23,25)(H,24,26)

InChIKey

ZSFKUHCCUBJYMV-UHFFFAOYSA-N

Compound name

N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 354.20557 Da
Monoisotopic Mass: 2.1
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]+	355.212846	186.8
[M+Na]+	377.194788	188.8
[M-H]-	353.198294	189.1
[M+NH4]+	372.239393	195.3
[M+K]+	393.168728	184.0
[M+H-H2O]+	337.202830	175.5
[M+HCOO]-	399.203771	207.3
[M+CH3COO]-	413.219421	218.0
[M+Na-2H]-	375.180236	190.7
[M]+	354.20502142	187.4
[M]-	354.20611858	187.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.