CID 3064501

Brn 5598222

Structural Information

Molecular Formula

C₁₆H₁₈N₄O₂

SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=C2)N)C#N)OC

InChI

InChI=1S/C16H18N4O2/c1-21-14-4-3-11(9-15(14)22-2)5-7-19-13-6-8-20-16(18)12(13)10-17/h3-4,6,8-9H,5,7H2,1-2H3,(H3,18,19,20)

InChIKey

DYDUQMCKORIYKW-UHFFFAOYSA-N

Compound name

2-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 298.14297 Da
Monoisotopic Mass: 2.7
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]+	299.150246	171.0
[M+Na]+	321.132188	180.0
[M-H]-	297.135694	174.6
[M+NH4]+	316.176793	182.6
[M+K]+	337.106128	175.6
[M+H-H2O]+	281.140230	155.4
[M+HCOO]-	343.141171	191.0
[M+CH3COO]-	357.156821	219.4
[M+Na-2H]-	319.117636	174.1
[M]+	298.14242142	167.4
[M]-	298.14351858	167.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.