CID 465578

Pd163655

Structural Information

Molecular Formula
C19H24FN3O3
SMILES
CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C(C)C)F
InChI
InChI=1S/C19H24FN3O3/c1-4-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12(2)3/h9-12H,4-8H2,1-3H3,(H,25,26)
InChIKey
RZZKOYSNEUOTGK-UHFFFAOYSA-N
Compound name
7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

361.18018 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18746 187.6
[M+Na]+ 384.16940 195.0
[M-H]- 360.17290 188.3
[M+NH4]+ 379.21400 196.6
[M+K]+ 400.14334 189.6
[M+H-H2O]+ 344.17744 176.8
[M+HCOO]- 406.17838 197.7
[M+CH3COO]- 420.19403 217.9
[M+Na-2H]- 382.15485 185.5
[M]+ 361.17963 185.5
[M]- 361.18073 185.5
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.