CID 478994

7-(10-aminodecylamino)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C23H32FN3O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)NCCCCCCCCCCN)F)C(=O)O
InChI
InChI=1S/C23H32FN3O3/c24-19-13-17-21(27(16-9-10-16)15-18(22(17)28)23(29)30)14-20(19)26-12-8-6-4-2-1-3-5-7-11-25/h13-16,26H,1-12,25H2,(H,29,30)
InChIKey
ZPWWUOWPTMMGRO-UHFFFAOYSA-N
Compound name
7-(10-aminodecylamino)-1-cyclopropyl-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

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.25005 197.7
[M+Na]+ 440.23199 204.5
[M-H]- 416.23549 200.6
[M+NH4]+ 435.27659 202.2
[M+K]+ 456.20593 196.3
[M+H-H2O]+ 400.24003 188.0
[M+HCOO]- 462.24097 215.3
[M+CH3COO]- 476.25662 234.3
[M+Na-2H]- 438.21744 196.8
[M]+ 417.24222 201.9
[M]- 417.24332 201.9
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.