CID 3050754

Brn 0422496

Structural Information

Molecular Formula

C₁₂H₁₁N₅O

SMILES

C1=CC(=CN=C1)NC(=NCC2=CC=CO2)NC#N

InChI

InChI=1S/C12H11N5O/c13-9-16-12(15-8-11-4-2-6-18-11)17-10-3-1-5-14-7-10/h1-7H,8H2,(H2,15,16,17)

InChIKey

SYUCVQXHDYYESU-UHFFFAOYSA-N

Compound name

1-cyano-2-(furan-2-ylmethyl)-3-pyridin-3-ylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 241.09636 Da
Monoisotopic Mass: 1.3
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]+	242.103636	156.5
[M+Na]+	264.085578	163.7
[M-H]-	240.089084	161.3
[M+NH4]+	259.130183	170.1
[M+K]+	280.059518	161.1
[M+H-H2O]+	224.093620	140.1
[M+HCOO]-	286.094561	179.2
[M+CH3COO]-	300.110211	207.9
[M+Na-2H]-	262.071026	163.0
[M]+	241.09581142	150.6
[M]-	241.09690858	150.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.