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 176.5
[M+Na]+ 327.12164 184.6
[M-H]- 303.12514 177.7
[M+NH4]+ 322.16624 184.0
[M+K]+ 343.09558 176.3
[M+H-H2O]+ 287.12968 158.4
[M+HCOO]- 349.13062 182.4
[M+CH3COO]- 363.14627 180.7
[M+Na-2H]- 325.10709 176.1
[M]+ 304.13187 164.9
[M]- 304.13297 164.9
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.