CID 479048

7-[bis(2-methoxyethyl)amino]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C19H23FN2O5
SMILES
COCCN(CCOC)C1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C19H23FN2O5/c1-26-7-5-21(6-8-27-2)17-10-16-13(9-15(17)20)18(23)14(19(24)25)11-22(16)12-3-4-12/h9-12H,3-8H2,1-2H3,(H,24,25)
InChIKey
ACJFGNGJUDESMY-UHFFFAOYSA-N
Compound name
7-[bis(2-methoxyethyl)amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.1591 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.16638 187.0
[M+Na]+ 401.14832 196.1
[M-H]- 377.15182 192.6
[M+NH4]+ 396.19292 194.0
[M+K]+ 417.12226 191.4
[M+H-H2O]+ 361.15636 177.6
[M+HCOO]- 423.15730 206.1
[M+CH3COO]- 437.17295 225.7
[M+Na-2H]- 399.13377 187.6
[M]+ 378.15855 195.3
[M]- 378.15965 195.3
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.