CID 72193864

As1842856

Structural Information

Molecular Formula
C18H22FN3O3
SMILES
CCN1C=C(C(=O)C2=C1C=C(C(=C2N)F)NC3CCCCC3)C(=O)O
InChI
InChI=1S/C18H22FN3O3/c1-2-22-9-11(18(24)25)17(23)14-13(22)8-12(15(19)16(14)20)21-10-6-4-3-5-7-10/h8-10,21H,2-7,20H2,1H3,(H,24,25)
InChIKey
MOMCHYGXXYBDCD-UHFFFAOYSA-N
Compound name
5-amino-7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

48
References

145
Patents

347.16452 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17180 181.0
[M+Na]+ 370.15374 187.4
[M-H]- 346.15724 183.9
[M+NH4]+ 365.19834 192.5
[M+K]+ 386.12768 182.2
[M+H-H2O]+ 330.16178 171.4
[M+HCOO]- 392.16272 196.6
[M+CH3COO]- 406.17837 218.7
[M+Na-2H]- 368.13919 180.6
[M]+ 347.16397 175.9
[M]- 347.16507 175.9
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

patents stripe