CID 65973

Safironil

Structural Information

Molecular Formula

C₁₅H₂₃N₃O₄

SMILES

COCCCNC(=O)C1=CC(=NC=C1)C(=O)NCCCOC

InChI

InChI=1S/C15H23N3O4/c1-21-9-3-6-17-14(19)12-5-8-16-13(11-12)15(20)18-7-4-10-22-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,17,19)(H,18,20)

InChIKey

HLSXICGBWKECLM-UHFFFAOYSA-N

Compound name

2-N,4-N-bis(3-methoxypropyl)pyridine-2,4-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 287
Patents: 309.16885 Da
Monoisotopic Mass: 0.2
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]+	310.17613	173.9
[M+Na]+	332.15807	181.5
[M+NH4]+	327.20267	178.0
[M+K]+	348.13201	177.0
[M-H]-	308.16157	173.6
[M+Na-2H]-	330.14352	176.9
[M]+	309.16830	174.3
[M]-	309.16940	174.3

Literature stripe

literature stripe

Patent stripe

patents stripe