CID 103434

65676-21-3

Structural Information

Molecular Formula

C₁₇H₁₈ClN₃

SMILES

CN(C)CCC(C#N)(C1=CC=C(C=C1)Cl)C2=CC=CC=N2

InChI

InChI=1S/C17H18ClN3/c1-21(2)12-10-17(13-19,16-5-3-4-11-20-16)14-6-8-15(18)9-7-14/h3-9,11H,10,12H2,1-2H3

InChIKey

XWFSLFHFPQWKNV-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-4-(dimethylamino)-2-pyridin-2-ylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 299.11893 Da
Monoisotopic Mass: 3.1
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]+	300.12621	173.0
[M+Na]+	322.10815	186.6
[M+NH4]+	317.15275	178.0
[M+K]+	338.08209	175.2
[M-H]-	298.11165	170.2
[M+Na-2H]-	320.09360	179.4
[M]+	299.11838	173.8
[M]-	299.11948	173.8

Literature stripe

literature stripe

Patent stripe

patents stripe