CID 3009590

1-cyclohexyl-7-(cyclohexylamino)-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C22H27FN2O3
SMILES
C1CCC(CC1)NC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CCCCC4)F
InChI
InChI=1S/C22H27FN2O3/c23-18-11-16-20(12-19(18)24-14-7-3-1-4-8-14)25(15-9-5-2-6-10-15)13-17(21(16)26)22(27)28/h11-15,24H,1-10H2,(H,27,28)
InChIKey
KLHSBMXNOGPFHJ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-7-(cyclohexylamino)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.20056 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.20784 191.7
[M+Na]+ 409.18978 194.4
[M-H]- 385.19328 196.4
[M+NH4]+ 404.23438 200.8
[M+K]+ 425.16372 188.4
[M+H-H2O]+ 369.19782 180.3
[M+HCOO]- 431.19876 202.4
[M+CH3COO]- 445.21441 198.1
[M+Na-2H]- 407.17523 189.9
[M]+ 386.20001 182.1
[M]- 386.20111 182.1
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.