CID 54681510

139094-71-6

Structural Information

Molecular Formula
C21H28N4O3
SMILES
CCCCN1C2=C(C=CC=N2)C(=C(C1=O)C(=O)NC3CC4CCC(C3)N4C)O
InChI
InChI=1S/C21H28N4O3/c1-3-4-10-25-19-16(6-5-9-22-19)18(26)17(21(25)28)20(27)23-13-11-14-7-8-15(12-13)24(14)2/h5-6,9,13-15,26H,3-4,7-8,10-12H2,1-2H3,(H,23,27)
InChIKey
XLVVGMWYXBVUJZ-UHFFFAOYSA-N
Compound name
1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

384.21616 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.22344 194.6
[M+Na]+ 407.20538 200.7
[M-H]- 383.20888 195.9
[M+NH4]+ 402.24998 205.8
[M+K]+ 423.17932 194.8
[M+H-H2O]+ 367.21342 185.2
[M+HCOO]- 429.21436 206.0
[M+CH3COO]- 443.23001 224.0
[M+Na-2H]- 405.19083 194.1
[M]+ 384.21561 194.1
[M]- 384.21671 194.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.