CID 478981

1-(2,4-difluorophenyl)-6-fluoro-7-(2-hydroxyethylamino)-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)NCCO)F)C(=O)O
InChI
InChI=1S/C18H13F3N2O4/c19-9-1-2-15(13(21)5-9)23-8-11(18(26)27)17(25)10-6-12(20)14(7-16(10)23)22-3-4-24/h1-2,5-8,22,24H,3-4H2,(H,26,27)
InChIKey
HEESOMFDFVJIEF-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-6-fluoro-7-(2-hydroxyethylamino)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.08273 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.09001 183.5
[M+Na]+ 401.07195 194.1
[M-H]- 377.07545 184.4
[M+NH4]+ 396.11655 193.8
[M+K]+ 417.04589 187.6
[M+H-H2O]+ 361.07999 172.1
[M+HCOO]- 423.08093 199.4
[M+CH3COO]- 437.09658 219.4
[M+Na-2H]- 399.05740 184.1
[M]+ 378.08218 182.1
[M]- 378.08328 182.1
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.