CID 3074389

1,8-naphthyridine-3-carboxamide, 4-chloro-n,n-dibutyl-2-((2-methylpropyl)amino)-

Structural Information

Molecular Formula
C21H31ClN4O
SMILES
CCCCN(CCCC)C(=O)C1=C(N=C2C(=C1Cl)C=CC=N2)NCC(C)C
InChI
InChI=1S/C21H31ClN4O/c1-5-7-12-26(13-8-6-2)21(27)17-18(22)16-10-9-11-23-19(16)25-20(17)24-14-15(3)4/h9-11,15H,5-8,12-14H2,1-4H3,(H,23,24,25)
InChIKey
GUOGKGVDGUUOGA-UHFFFAOYSA-N
Compound name
N,N-dibutyl-4-chloro-2-(2-methylpropylamino)-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.21863 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.22591 197.2
[M+Na]+ 413.20785 208.7
[M+NH4]+ 408.25245 203.4
[M+K]+ 429.18179 200.7
[M-H]- 389.21135 199.5
[M+Na-2H]- 411.19330 201.2
[M]+ 390.21808 199.6
[M]- 390.21918 199.6
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.