CID 3075653

Piperidine, 1-((2-(dicyanomethyl)-4-quinolinyl)carbonyl)-

Structural Information

Molecular Formula
C18H16N4O
SMILES
C1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C(C#N)C#N
InChI
InChI=1S/C18H16N4O/c19-11-13(12-20)17-10-15(14-6-2-3-7-16(14)21-17)18(23)22-8-4-1-5-9-22/h2-3,6-7,10,13H,1,4-5,8-9H2
InChIKey
JOWSCQOXQXEZNH-UHFFFAOYSA-N
Compound name
2-[4-(piperidine-1-carbonyl)quinolin-2-yl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.13242 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13970 196.8
[M+Na]+ 327.12164 205.6
[M+NH4]+ 322.16624 196.9
[M+K]+ 343.09558 193.9
[M-H]- 303.12514 187.5
[M+Na-2H]- 325.10709 195.3
[M]+ 304.13187 194.1
[M]- 304.13297 194.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.