CID 479041

1-cyclopropyl-6-fluoro-7-(5-hydroxy-5-methyl-hexylamino)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C20H25FN2O4
SMILES
CC(C)(CCCCNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F)O
InChI
InChI=1S/C20H25FN2O4/c1-20(2,27)7-3-4-8-22-16-10-17-13(9-15(16)21)18(24)14(19(25)26)11-23(17)12-5-6-12/h9-12,22,27H,3-8H2,1-2H3,(H,25,26)
InChIKey
FMTDBPCDHOBKBT-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-[(5-hydroxy-5-methylhexyl)amino]-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.17984 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.18712 186.2
[M+Na]+ 399.16906 194.9
[M-H]- 375.17256 189.3
[M+NH4]+ 394.21366 192.3
[M+K]+ 415.14300 188.0
[M+H-H2O]+ 359.17710 178.2
[M+HCOO]- 421.17804 201.4
[M+CH3COO]- 435.19369 221.7
[M+Na-2H]- 397.15451 187.8
[M]+ 376.17929 190.2
[M]- 376.18039 190.2
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.