CID 3075652

4-quinolinecarboxamide, 2-(dicyanomethyl)-n,n-diethyl-

Structural Information

Molecular Formula
C17H16N4O
SMILES
CCN(CC)C(=O)C1=CC(=NC2=CC=CC=C21)C(C#N)C#N
InChI
InChI=1S/C17H16N4O/c1-3-21(4-2)17(22)14-9-16(12(10-18)11-19)20-15-8-6-5-7-13(14)15/h5-9,12H,3-4H2,1-2H3
InChIKey
XKEXSNWLUPJZKT-UHFFFAOYSA-N
Compound name
2-(dicyanomethyl)-N,N-diethylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.13242 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13970 191.5
[M+Na]+ 315.12164 199.8
[M+NH4]+ 310.16624 191.5
[M+K]+ 331.09558 188.8
[M-H]- 291.12514 181.8
[M+Na-2H]- 313.10709 189.8
[M]+ 292.13187 188.7
[M]- 292.13297 188.7
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.