CID 54681508

139094-69-2

Structural Information

Molecular Formula
C24H25N3O3
SMILES
CN1C2CCC1CC(C2)NC(=O)C3=C(C4=CC=CC=C4N(C3=O)C5=CC=CC=C5)O
InChI
InChI=1S/C24H25N3O3/c1-26-17-11-12-18(26)14-15(13-17)25-23(29)21-22(28)19-9-5-6-10-20(19)27(24(21)30)16-7-3-2-4-8-16/h2-10,15,17-18,28H,11-14H2,1H3,(H,25,29)
InChIKey
XVUAZUUCNDHQLD-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-phenylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

403.1896 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.19688 196.1
[M+Na]+ 426.17882 201.9
[M-H]- 402.18232 201.9
[M+NH4]+ 421.22342 207.1
[M+K]+ 442.15276 195.2
[M+H-H2O]+ 386.18686 185.8
[M+HCOO]- 448.18780 208.9
[M+CH3COO]- 462.20345 203.7
[M+Na-2H]- 424.16427 196.2
[M]+ 403.18905 193.4
[M]- 403.19015 193.4
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

patents stripe