CID 478993

7-(9-aminononylamino)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C22H30FN3O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)NCCCCCCCCCN)F)C(=O)O
InChI
InChI=1S/C22H30FN3O3/c23-18-12-16-20(26(15-8-9-15)14-17(21(16)27)22(28)29)13-19(18)25-11-7-5-3-1-2-4-6-10-24/h12-15,25H,1-11,24H2,(H,28,29)
InChIKey
KEIVKHXYHJJVAK-UHFFFAOYSA-N
Compound name
7-(9-aminononylamino)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.2271 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.23438 193.7
[M+Na]+ 426.21632 201.0
[M-H]- 402.21982 196.8
[M+NH4]+ 421.26092 198.8
[M+K]+ 442.19026 192.9
[M+H-H2O]+ 386.22436 184.2
[M+HCOO]- 448.22530 211.6
[M+CH3COO]- 462.24095 231.5
[M+Na-2H]- 424.20177 193.3
[M]+ 403.22655 197.6
[M]- 403.22765 197.6
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.