CID 479032

1-cyclopropyl-7-(3-ethoxypropylamino)-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C18H21FN2O4
SMILES
CCOCCCNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C18H21FN2O4/c1-2-25-7-3-6-20-15-9-16-12(8-14(15)19)17(22)13(18(23)24)10-21(16)11-4-5-11/h8-11,20H,2-7H2,1H3,(H,23,24)
InChIKey
FPJFXSNNLOFRBU-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-(3-ethoxypropylamino)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.14853 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.15581 179.0
[M+Na]+ 371.13775 188.6
[M-H]- 347.14125 183.4
[M+NH4]+ 366.18235 186.7
[M+K]+ 387.11169 182.2
[M+H-H2O]+ 331.14579 170.0
[M+HCOO]- 393.14673 197.8
[M+CH3COO]- 407.16238 217.7
[M+Na-2H]- 369.12320 180.7
[M]+ 348.14798 184.4
[M]- 348.14908 184.4
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.