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 198.8
[M+Na]+ 413.20785 204.0
[M-H]- 389.21135 200.8
[M+NH4]+ 408.25245 209.9
[M+K]+ 429.18179 198.7
[M+H-H2O]+ 373.21589 189.4
[M+HCOO]- 435.21683 212.9
[M+CH3COO]- 449.23248 232.4
[M+Na-2H]- 411.19330 199.1
[M]+ 390.21808 205.3
[M]- 390.21918 205.3
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.