CID 3054154

N-nicotinoyl-n'-mmu

Structural Information

Molecular Formula

C₁₂H₁₆N₄O₃

SMILES

C1COCCN1CNC(=O)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C12H16N4O3/c17-11(10-2-1-3-13-8-10)15-12(18)14-9-16-4-6-19-7-5-16/h1-3,8H,4-7,9H2,(H2,14,15,17,18)

InChIKey

YINBMBAKNCXZDX-UHFFFAOYSA-N

Compound name

N-(morpholin-4-ylmethylcarbamoyl)pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 264.12225 Da
Monoisotopic Mass: 0.1
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]+	265.129526	159.9
[M+Na]+	287.111468	162.6
[M-H]-	263.114974	163.3
[M+NH4]+	282.156073	170.7
[M+K]+	303.085408	161.8
[M+H-H2O]+	247.119510	149.9
[M+HCOO]-	309.120451	178.2
[M+CH3COO]-	323.136101	197.0
[M+Na-2H]-	285.096916	165.5
[M]+	264.12170142	155.6
[M]-	264.12279858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe