CID 459642

N,n-diethylquinoline-3-carboxamide

Structural Information

Molecular Formula
C14H16N2O
SMILES
CCN(CC)C(=O)C1=CC2=CC=CC=C2N=C1
InChI
InChI=1S/C14H16N2O/c1-3-16(4-2)14(17)12-9-11-7-5-6-8-13(11)15-10-12/h5-10H,3-4H2,1-2H3
InChIKey
SOQUKNZGBFCADP-UHFFFAOYSA-N
Compound name
N,N-diethylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

228.12627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 151.9
[M+Na]+ 251.11549 158.8
[M-H]- 227.11899 156.2
[M+NH4]+ 246.16009 170.0
[M+K]+ 267.08943 156.5
[M+H-H2O]+ 211.12353 144.0
[M+HCOO]- 273.12447 174.3
[M+CH3COO]- 287.14012 197.2
[M+Na-2H]- 249.10094 158.5
[M]+ 228.12572 153.8
[M]- 228.12682 153.8
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

patents stripe