CID 170234

N,n'-bis(3-pyridinylmethyl)urea

Structural Information

Molecular Formula

C₁₃H₁₄N₄O

SMILES

C1=CC(=CN=C1)CNC(=O)NCC2=CN=CC=C2

InChI

InChI=1S/C13H14N4O/c18-13(16-9-11-3-1-5-14-7-11)17-10-12-4-2-6-15-8-12/h1-8H,9-10H2,(H2,16,17,18)

InChIKey

MXEJJBGVOYQRDF-UHFFFAOYSA-N

Compound name

1,3-bis(pyridin-3-ylmethyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 242.11676 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]+	243.12404	155.1
[M+Na]+	265.10598	167.5
[M+NH4]+	260.15058	162.2
[M+K]+	281.07992	160.5
[M-H]-	241.10948	159.0
[M+Na-2H]-	263.09143	164.6
[M]+	242.11621	157.7
[M]-	242.11731	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe