CID 459967

1-cyclopropyl-7-(3-ethylpiperazin-1-yl)-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C20H24FN3O4
SMILES
CCC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C20H24FN3O4/c1-3-11-9-23(7-6-22-11)17-15(21)8-13-16(19(17)28-2)24(12-4-5-12)10-14(18(13)25)20(26)27/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)
InChIKey
QNBJTZBMBAOFDX-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-(3-ethylpiperazin-1-yl)-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

389.17508 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.18236 199.0
[M+Na]+ 412.16430 208.1
[M-H]- 388.16780 201.9
[M+NH4]+ 407.20890 201.7
[M+K]+ 428.13824 200.0
[M+H-H2O]+ 372.17234 188.4
[M+HCOO]- 434.17328 209.0
[M+CH3COO]- 448.18893 221.6
[M+Na-2H]- 410.14975 196.2
[M]+ 389.17453 198.9
[M]- 389.17563 198.9
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.