CID 478995

7-(12-aminododecylamino)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C25H36FN3O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)NCCCCCCCCCCCCN)F)C(=O)O
InChI
InChI=1S/C25H36FN3O3/c26-21-15-19-23(29(18-11-12-18)17-20(24(19)30)25(31)32)16-22(21)28-14-10-8-6-4-2-1-3-5-7-9-13-27/h15-18,28H,1-14,27H2,(H,31,32)
InChIKey
FEMRJUQUZUKGHV-UHFFFAOYSA-N
Compound name
7-(12-aminododecylamino)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

445.27408 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.28136 205.6
[M+Na]+ 468.26330 211.5
[M-H]- 444.26680 208.1
[M+NH4]+ 463.30790 208.9
[M+K]+ 484.23724 202.9
[M+H-H2O]+ 428.27134 195.6
[M+HCOO]- 490.27228 222.5
[M+CH3COO]- 504.28793 239.9
[M+Na-2H]- 466.24875 203.7
[M]+ 445.27353 210.4
[M]- 445.27463 210.4
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.