CID 54677129

Mls000077344

Structural Information

Molecular Formula
C19H25N3O3
SMILES
CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCCN3CCCCC3)O
InChI
InChI=1S/C19H25N3O3/c1-2-22-15-9-5-4-8-14(15)17(23)16(19(22)25)18(24)20-10-13-21-11-6-3-7-12-21/h4-5,8-9,23H,2-3,6-7,10-13H2,1H3,(H,20,24)
InChIKey
XAAHOAIUDIJIAJ-UHFFFAOYSA-N
Compound name
1-ethyl-4-hydroxy-2-oxo-N-(2-piperidin-1-ylethyl)quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

343.1896 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.19688 182.6
[M+Na]+ 366.17882 187.6
[M-H]- 342.18232 185.2
[M+NH4]+ 361.22342 193.0
[M+K]+ 382.15276 182.4
[M+H-H2O]+ 326.18686 172.6
[M+HCOO]- 388.18780 197.3
[M+CH3COO]- 402.20345 213.5
[M+Na-2H]- 364.16427 184.4
[M]+ 343.18905 180.0
[M]- 343.19015 180.0
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.