CID 483102

6-chloro-1-cyclopropyl-8-fluoro-1,4-dihydro-4-oxo-7-(4-ethanol-1-piperazinyl)-3-quinolinecarboxylic acid

Structural Information

Molecular Formula
C19H21ClFN3O4
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCN(CC4)CCO)Cl)C(=O)O
InChI
InChI=1S/C19H21ClFN3O4/c20-14-9-12-16(24(11-1-2-11)10-13(18(12)26)19(27)28)15(21)17(14)23-5-3-22(4-6-23)7-8-25/h9-11,25H,1-8H2,(H,27,28)
InChIKey
OFWOVXJOULAITO-UHFFFAOYSA-N
Compound name
6-chloro-1-cyclopropyl-8-fluoro-7-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.12045 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.12773 196.9
[M+Na]+ 432.10967 206.7
[M-H]- 408.11317 199.5
[M+NH4]+ 427.15427 199.6
[M+K]+ 448.08361 197.9
[M+H-H2O]+ 392.11771 186.9
[M+HCOO]- 454.11865 202.9
[M+CH3COO]- 468.13430 222.1
[M+Na-2H]- 430.09512 194.4
[M]+ 409.11990 198.5
[M]- 409.12100 198.5
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.