CID 483592

182868-72-0

Structural Information

Molecular Formula
C20H24FN3O4
SMILES
CCOC1=C2C(=CC(=C1N3CCNC(C3)C)F)C(=O)C(=CN2C4CC4)C(=O)O
InChI
InChI=1S/C20H24FN3O4/c1-3-28-19-16-13(8-15(21)17(19)23-7-6-22-11(2)9-23)18(25)14(20(26)27)10-24(16)12-4-5-12/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)
InChIKey
OWEQWFYVHJAGCR-UHFFFAOYSA-N
Compound name
1-cyclopropyl-8-ethoxy-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

389.17508 Da
Monoisotopic Mass

-0.4
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

patents stripe