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]+ 385.223436 194.6
[M+Na]+ 407.205378 200.7
[M-H]- 383.208884 195.9
[M+NH4]+ 402.249983 205.8
[M+K]+ 423.179318 194.8
[M+H-H2O]+ 367.213420 185.2
[M+HCOO]- 429.214361 206.0
[M+CH3COO]- 443.230011 224.0
[M+Na-2H]- 405.190826 194.1
[M]+ 384.21561142 194.1
[M]- 384.21670858 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.