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]+ 229.133546 151.9
[M+Na]+ 251.115488 158.8
[M-H]- 227.118994 156.2
[M+NH4]+ 246.160093 170.0
[M+K]+ 267.089428 156.5
[M+H-H2O]+ 211.123530 144.0
[M+HCOO]- 273.124471 174.3
[M+CH3COO]- 287.140121 197.2
[M+Na-2H]- 249.100936 158.5
[M]+ 228.12572142 153.8
[M]- 228.12681858 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