CID 479038

1-cyclopropyl-7-(4,4-diethoxy-2,2-dimethyl-butylamino)-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C23H31FN2O5
SMILES
CCOC(CC(C)(C)CNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F)OCC
InChI
InChI=1S/C23H31FN2O5/c1-5-30-20(31-6-2)11-23(3,4)13-25-18-10-19-15(9-17(18)24)21(27)16(22(28)29)12-26(19)14-7-8-14/h9-10,12,14,20,25H,5-8,11,13H2,1-4H3,(H,28,29)
InChIKey
GEPPBLMJCKTPCV-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[(4,4-diethoxy-2,2-dimethylbutyl)amino]-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.2217 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.22898 202.1
[M+Na]+ 457.21092 209.2
[M-H]- 433.21442 205.8
[M+NH4]+ 452.25552 206.2
[M+K]+ 473.18486 203.7
[M+H-H2O]+ 417.21896 193.2
[M+HCOO]- 479.21990 216.8
[M+CH3COO]- 493.23555 235.2
[M+Na-2H]- 455.19637 201.7
[M]+ 434.22115 209.5
[M]- 434.22225 209.5
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.