CID 479026

1-cyclopropyl-7-[3-(dibutylamino)propylamino]-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C24H34FN3O3
SMILES
CCCCN(CCCC)CCCNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C24H34FN3O3/c1-3-5-11-27(12-6-4-2)13-7-10-26-21-15-22-18(14-20(21)25)23(29)19(24(30)31)16-28(22)17-8-9-17/h14-17,26H,3-13H2,1-2H3,(H,30,31)
InChIKey
YSABXHRRWURENC-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[3-(dibutylamino)propylamino]-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.25842 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.26570 203.7
[M+Na]+ 454.24764 210.1
[M-H]- 430.25114 208.2
[M+NH4]+ 449.29224 208.4
[M+K]+ 470.22158 203.2
[M+H-H2O]+ 414.25568 193.6
[M+HCOO]- 476.25662 221.9
[M+CH3COO]- 490.27227 240.5
[M+Na-2H]- 452.23309 202.3
[M]+ 431.25787 210.2
[M]- 431.25897 210.2
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.