CID 478991

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

Structural Information

Molecular Formula
C20H26FN3O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)NCCCCCCCN)F)C(=O)O
InChI
InChI=1S/C20H26FN3O3/c21-16-10-14-18(11-17(16)23-9-5-3-1-2-4-8-22)24(13-6-7-13)12-15(19(14)25)20(26)27/h10-13,23H,1-9,22H2,(H,26,27)
InChIKey
JQWXCMWOKAUQIR-UHFFFAOYSA-N
Compound name
7-(7-aminoheptylamino)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.19583 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20311 185.7
[M+Na]+ 398.18505 193.9
[M-H]- 374.18855 189.2
[M+NH4]+ 393.22965 191.9
[M+K]+ 414.15899 186.2
[M+H-H2O]+ 358.19309 176.6
[M+HCOO]- 420.19403 204.3
[M+CH3COO]- 434.20968 225.9
[M+Na-2H]- 396.17050 186.2
[M]+ 375.19528 188.9
[M]- 375.19638 188.9
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.