CID 3074381

1,8-naphthyridine-3-carboxamide, 4-chloro-n,n-diethyl-2-(2-propenylamino)-

Structural Information

Molecular Formula
C16H19ClN4O
SMILES
CCN(CC)C(=O)C1=C(N=C2C(=C1Cl)C=CC=N2)NCC=C
InChI
InChI=1S/C16H19ClN4O/c1-4-9-18-15-12(16(22)21(5-2)6-3)13(17)11-8-7-10-19-14(11)20-15/h4,7-8,10H,1,5-6,9H2,2-3H3,(H,18,19,20)
InChIKey
DXDFSMGOZQUSMT-UHFFFAOYSA-N
Compound name
4-chloro-N,N-diethyl-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.12473 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.13201 173.8
[M+Na]+ 341.11395 186.8
[M+NH4]+ 336.15855 180.7
[M+K]+ 357.08789 179.1
[M-H]- 317.11745 176.2
[M+Na-2H]- 339.09940 179.4
[M]+ 318.12418 176.5
[M]- 318.12528 176.5
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.