CID 3073168

Endo-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2hcl hydrate

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C4C3=O
InChI
InChI=1S/C18H20N2O3/c1-20-11-6-7-12(20)9-13(8-11)23-18(22)15-10-19-16-5-3-2-4-14(16)17(15)21/h2-5,10-13H,6-9H2,1H3,(H,19,21)
InChIKey
YQUHQGUROPITGF-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-oxo-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

312.1474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 172.5
[M+Na]+ 335.13662 179.2
[M-H]- 311.14012 175.1
[M+NH4]+ 330.18122 187.9
[M+K]+ 351.11056 173.9
[M+H-H2O]+ 295.14466 164.1
[M+HCOO]- 357.14560 185.4
[M+CH3COO]- 371.16125 181.9
[M+Na-2H]- 333.12207 174.1
[M]+ 312.14685 170.3
[M]- 312.14795 170.3
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