CID 478992

7-(8-aminooctylamino)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C21H28FN3O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)NCCCCCCCCN)F)C(=O)O
InChI
InChI=1S/C21H28FN3O3/c22-17-11-15-19(12-18(17)24-10-6-4-2-1-3-5-9-23)25(14-7-8-14)13-16(20(15)26)21(27)28/h11-14,24H,1-10,23H2,(H,27,28)
InChIKey
MGEUMLIQEXHVPO-UHFFFAOYSA-N
Compound name
7-(8-aminooctylamino)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.21146 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.21874 189.7
[M+Na]+ 412.20068 197.4
[M-H]- 388.20418 193.0
[M+NH4]+ 407.24528 195.4
[M+K]+ 428.17462 189.6
[M+H-H2O]+ 372.20872 180.4
[M+HCOO]- 434.20966 207.9
[M+CH3COO]- 448.22531 228.7
[M+Na-2H]- 410.18613 189.8
[M]+ 389.21091 193.3
[M]- 389.21201 193.3
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.