CID 66557780

2-[(1-ethylpyrrolidin-2-yl)methyl]-7-methoxy-4-oxo-1h-quinoline-3-carboxamide

Structural Information

Molecular Formula
C18H23N3O3
SMILES
CCN1CCCC1CC2=C(C(=O)C3=C(N2)C=C(C=C3)OC)C(=O)N
InChI
InChI=1S/C18H23N3O3/c1-3-21-8-4-5-11(21)9-15-16(18(19)23)17(22)13-7-6-12(24-2)10-14(13)20-15/h6-7,10-11H,3-5,8-9H2,1-2H3,(H2,19,23)(H,20,22)
InChIKey
HRQACYARIZTABB-UHFFFAOYSA-N
Compound name
2-[(1-ethylpyrrolidin-2-yl)methyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.17395 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.18123 178.8
[M+Na]+ 352.16317 186.0
[M-H]- 328.16667 182.2
[M+NH4]+ 347.20777 191.9
[M+K]+ 368.13711 180.7
[M+H-H2O]+ 312.17121 170.3
[M+HCOO]- 374.17215 195.6
[M+CH3COO]- 388.18780 211.3
[M+Na-2H]- 350.14862 177.7
[M]+ 329.17340 177.8
[M]- 329.17450 177.8
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.