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 178.1
[M+Na]+ 315.12164 186.6
[M-H]- 291.12514 180.4
[M+NH4]+ 310.16624 187.6
[M+K]+ 331.09558 181.3
[M+H-H2O]+ 275.12968 161.0
[M+HCOO]- 337.13062 188.0
[M+CH3COO]- 351.14627 233.0
[M+Na-2H]- 313.10709 177.9
[M]+ 292.13187 170.8
[M]- 292.13297 170.8
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.