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 175.1
[M+Na]+ 341.11395 183.2
[M-H]- 317.11745 178.0
[M+NH4]+ 336.15855 189.2
[M+K]+ 357.08789 177.9
[M+H-H2O]+ 301.12199 166.6
[M+HCOO]- 363.12293 192.1
[M+CH3COO]- 377.13858 216.1
[M+Na-2H]- 339.09940 179.2
[M]+ 318.12418 179.7
[M]- 318.12528 179.7
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.