CID 465946

Chembl14866

Structural Information

Molecular Formula
C20H24FN3O3
SMILES
CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CCC4)F
InChI
InChI=1S/C20H24FN3O3/c1-11-8-23(9-12(2)22-11)18-7-17-14(6-16(18)21)19(25)15(20(26)27)10-24(17)13-4-3-5-13/h6-7,10-13,22H,3-5,8-9H2,1-2H3,(H,26,27)
InChIKey
ICKOYARURFGSGZ-UHFFFAOYSA-N
Compound name
1-cyclobutyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

373.18018 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18746 193.2
[M+Na]+ 396.16940 198.9
[M-H]- 372.17290 195.0
[M+NH4]+ 391.21400 194.5
[M+K]+ 412.14334 195.7
[M+H-H2O]+ 356.17744 176.5
[M+HCOO]- 418.17838 200.6
[M+CH3COO]- 432.19403 219.8
[M+Na-2H]- 394.15485 189.5
[M]+ 373.17963 196.2
[M]- 373.18073 196.2
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.