CID 170455649

1-cyclopropyl-6-fluoro-7-(3-hydroxypiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C17H18FN3O4
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)O)F)C(=O)O
InChI
InChI=1S/C17H18FN3O4/c18-12-5-10-13(6-14(12)20-4-3-19-15(22)8-20)21(9-1-2-9)7-11(16(10)23)17(24)25/h5-7,9,15,19,22H,1-4,8H2,(H,24,25)
InChIKey
RITFKGBWHOPOIN-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-(3-hydroxypiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.12814 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.135416 185.0
[M+Na]+ 370.117358 194.3
[M-H]- 346.120864 186.9
[M+NH4]+ 365.161963 188.5
[M+K]+ 386.091298 186.0
[M+H-H2O]+ 330.125400 175.1
[M+HCOO]- 392.126341 194.8
[M+CH3COO]- 406.141991 192.1
[M+Na-2H]- 368.102806 184.2
[M]+ 347.12759142 182.0
[M]- 347.12868858 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.