CID 479001

1-cyclopropyl-7-[2-(dibutylamino)ethylamino]-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C23H32FN3O3
SMILES
CCCCN(CCCC)CCNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C23H32FN3O3/c1-3-5-10-26(11-6-4-2)12-9-25-20-14-21-17(13-19(20)24)22(28)18(23(29)30)15-27(21)16-7-8-16/h13-16,25H,3-12H2,1-2H3,(H,29,30)
InChIKey
MOZNSPYJNFKGPD-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[2-(dibutylamino)ethylamino]-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

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.25005 199.6
[M+Na]+ 440.23199 206.5
[M-H]- 416.23549 204.4
[M+NH4]+ 435.27659 204.9
[M+K]+ 456.20593 199.8
[M+H-H2O]+ 400.24003 189.7
[M+HCOO]- 462.24097 218.2
[M+CH3COO]- 476.25662 237.7
[M+Na-2H]- 438.21744 198.7
[M]+ 417.24222 205.8
[M]- 417.24332 205.8
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.