CID 465947

Chembl15148

Structural Information

Molecular Formula
C20H24FN3O3
SMILES
CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CCC4)F
InChI
InChI=1S/C20H24FN3O3/c1-2-22-6-8-23(9-7-22)18-11-17-14(10-16(18)21)19(25)15(20(26)27)12-24(17)13-4-3-5-13/h10-13H,2-9H2,1H3,(H,26,27)
InChIKey
MVMJXZUHWQXVSN-UHFFFAOYSA-N
Compound name
1-cyclobutyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

373.18018 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18746 190.7
[M+Na]+ 396.16940 196.0
[M-H]- 372.17290 193.4
[M+NH4]+ 391.21400 192.4
[M+K]+ 412.14334 193.4
[M+H-H2O]+ 356.17744 173.4
[M+HCOO]- 418.17838 199.6
[M+CH3COO]- 432.19403 220.6
[M+Na-2H]- 394.15485 188.3
[M]+ 373.17963 194.9
[M]- 373.18073 194.9
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.