CID 479040

1-cyclopropyl-7-(diethylamino-methyl-pentylamino)-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C23H32FN3O3
SMILES
CCN(CC)CCCCC(C)NC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C23H32FN3O3/c1-4-26(5-2)11-7-6-8-15(3)25-20-13-21-17(12-19(20)24)22(28)18(23(29)30)14-27(21)16-9-10-16/h12-16,25H,4-11H2,1-3H3,(H,29,30)
InChIKey
QDGRJCWHXHXTDJ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[6-(diethylamino)hexan-2-ylamino]-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

417.24277 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.25005 198.9
[M+Na]+ 440.23199 205.5
[M-H]- 416.23549 203.8
[M+NH4]+ 435.27659 204.2
[M+K]+ 456.20593 199.4
[M+H-H2O]+ 400.24003 189.3
[M+HCOO]- 462.24097 216.6
[M+CH3COO]- 476.25662 238.6
[M+Na-2H]- 438.21744 197.1
[M]+ 417.24222 204.6
[M]- 417.24332 204.6
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.