CID 693217

Accpe

Structural Information

Molecular Formula

C₁₅H₁₁ClN₄O

SMILES

CCOC1=C(C(=C(C(=N1)N)C#N)C2=CC=CC=C2Cl)C#N

InChI

InChI=1S/C15H11ClN4O/c1-2-21-15-11(8-18)13(10(7-17)14(19)20-15)9-5-3-4-6-12(9)16/h3-6H,2H2,1H3,(H2,19,20)

InChIKey

RFVAETOBPYCSPX-UHFFFAOYSA-N

Compound name

2-amino-4-(2-chlorophenyl)-6-ethoxypyridine-3,5-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 298.06213 Da
Monoisotopic Mass: 3.4
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]+	299.06941	174.0
[M+Na]+	321.05135	185.4
[M-H]-	297.05485	177.2
[M+NH4]+	316.09595	183.3
[M+K]+	337.02529	179.1
[M+H-H2O]+	281.05939	157.8
[M+HCOO]-	343.06033	183.0
[M+CH3COO]-	357.07598	229.9
[M+Na-2H]-	319.03680	173.9
[M]+	298.06158	167.5
[M]-	298.06268	167.5

Literature stripe

literature stripe

Patent stripe

patents stripe