CID 479039

7-(5-aminohexylamino)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C19H24FN3O3
SMILES
CC(CCCCNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F)N
InChI
InChI=1S/C19H24FN3O3/c1-11(21)4-2-3-7-22-16-9-17-13(8-15(16)20)18(24)14(19(25)26)10-23(17)12-5-6-12/h8-12,22H,2-7,21H2,1H3,(H,25,26)
InChIKey
ITALYYOXVZBBEE-UHFFFAOYSA-N
Compound name
7-(5-aminohexylamino)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.18018 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18746 181.3
[M+Na]+ 384.16940 189.6
[M-H]- 360.17290 185.1
[M+NH4]+ 379.21400 188.0
[M+K]+ 400.14334 182.7
[M+H-H2O]+ 344.17744 172.6
[M+HCOO]- 406.17838 199.3
[M+CH3COO]- 420.19403 223.9
[M+Na-2H]- 382.15485 181.2
[M]+ 361.17963 183.7
[M]- 361.18073 183.7
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.