CID 459966

Pd-161144

Structural Information

Molecular Formula
C20H24FN3O4
SMILES
CCN1CCN(CC1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C20H24FN3O4/c1-3-22-6-8-23(9-7-22)17-15(21)10-13-16(19(17)28-2)24(12-4-5-12)11-14(18(13)25)20(26)27/h10-12H,3-9H2,1-2H3,(H,26,27)
InChIKey
RPOIMOQCZMUAJR-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

389.17508 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.18236 200.4
[M+Na]+ 412.16430 209.9
[M-H]- 388.16780 204.5
[M+NH4]+ 407.20890 203.7
[M+K]+ 428.13824 202.5
[M+H-H2O]+ 372.17234 189.3
[M+HCOO]- 434.17328 211.8
[M+CH3COO]- 448.18893 223.6
[M+Na-2H]- 410.14975 197.7
[M]+ 389.17453 201.9
[M]- 389.17563 201.9
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.