CID 479016

1-cyclopropyl-6-fluoro-7-(2-methoxy-1-methyl-ethylamino)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C17H19FN2O4
SMILES
CC(COC)NC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C17H19FN2O4/c1-9(8-24-2)19-14-6-15-11(5-13(14)18)16(21)12(17(22)23)7-20(15)10-3-4-10/h5-7,9-10,19H,3-4,8H2,1-2H3,(H,22,23)
InChIKey
LFQFSXOVEKTATF-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-(1-methoxypropan-2-ylamino)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.13287 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.14015 174.0
[M+Na]+ 357.12209 183.8
[M-H]- 333.12559 178.7
[M+NH4]+ 352.16669 182.2
[M+K]+ 373.09603 178.1
[M+H-H2O]+ 317.13013 165.5
[M+HCOO]- 379.13107 192.2
[M+CH3COO]- 393.14672 215.8
[M+Na-2H]- 355.10754 175.2
[M]+ 334.13232 178.6
[M]- 334.13342 178.6
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.