CID 479008

Schembl4392662

Structural Information

Molecular Formula
C15H15FN2O4
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)NCCO)F)C(=O)O
InChI
InChI=1S/C15H15FN2O4/c16-11-5-9-13(6-12(11)17-3-4-19)18(8-1-2-8)7-10(14(9)20)15(21)22/h5-8,17,19H,1-4H2,(H,21,22)
InChIKey
HJEVNLHQTYIXFN-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-(2-hydroxyethylamino)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

306.1016 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10888 165.0
[M+Na]+ 329.09082 175.6
[M-H]- 305.09432 168.7
[M+NH4]+ 324.13542 173.8
[M+K]+ 345.06476 169.0
[M+H-H2O]+ 289.09886 157.0
[M+HCOO]- 351.09980 183.5
[M+CH3COO]- 365.11545 207.1
[M+Na-2H]- 327.07627 168.0
[M]+ 306.10105 167.8
[M]- 306.10215 167.8
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