CID 478978

7-(2-aminoethoxy)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C18H13F3N2O4
SMILES
C1=CC(=C(C=C1F)F)N2C=C(C(=O)C3=CC(=C(C=C32)OCCN)F)C(=O)O
InChI
InChI=1S/C18H13F3N2O4/c19-9-1-2-14(12(20)5-9)23-8-11(18(25)26)17(24)10-6-13(21)16(7-15(10)23)27-4-3-22/h1-2,5-8H,3-4,22H2,(H,25,26)
InChIKey
OIDQANFENGLVFL-UHFFFAOYSA-N
Compound name
7-(2-aminoethoxy)-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.08273 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.09001 184.3
[M+Na]+ 401.07195 195.4
[M-H]- 377.07545 186.1
[M+NH4]+ 396.11655 195.1
[M+K]+ 417.04589 189.3
[M+H-H2O]+ 361.07999 172.7
[M+HCOO]- 423.08093 201.1
[M+CH3COO]- 437.09658 221.1
[M+Na-2H]- 399.05740 184.3
[M]+ 378.08218 183.7
[M]- 378.08328 183.7
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.