CID 48866

Brn 0419149

Structural Information

Molecular Formula

C₁₃H₂₀N₆

SMILES

CCN(CC)CCN=C(NC#N)NC1=CN=CC=C1

InChI

InChI=1S/C13H20N6/c1-3-19(4-2)9-8-16-13(17-11-14)18-12-6-5-7-15-10-12/h5-7,10H,3-4,8-9H2,1-2H3,(H2,16,17,18)

InChIKey

HUEOMNMLMZBNKJ-UHFFFAOYSA-N

Compound name

1-cyano-2-[2-(diethylamino)ethyl]-3-pyridin-3-ylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 260.17496 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]+	261.182236	163.4
[M+Na]+	283.164178	167.9
[M-H]-	259.167684	166.2
[M+NH4]+	278.208783	176.6
[M+K]+	299.138118	166.9
[M+H-H2O]+	243.172220	147.2
[M+HCOO]-	305.173161	185.9
[M+CH3COO]-	319.188811	220.4
[M+Na-2H]-	281.149626	168.4
[M]+	260.17441142	158.1
[M]-	260.17550858	158.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.