CID 465949

Chembl15389

Structural Information

Molecular Formula
C20H24FN3O3
SMILES
CNCC1CCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CCC4)F
InChI
InChI=1S/C20H24FN3O3/c1-22-9-12-5-6-23(10-12)18-8-17-14(7-16(18)21)19(25)15(20(26)27)11-24(17)13-3-2-4-13/h7-8,11-13,22H,2-6,9-10H2,1H3,(H,26,27)
InChIKey
ZURLLGTYXODNBE-UHFFFAOYSA-N
Compound name
1-cyclobutyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-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 188.4
[M+Na]+ 396.16940 193.2
[M-H]- 372.17290 193.3
[M+NH4]+ 391.21400 193.1
[M+K]+ 412.14334 191.0
[M+H-H2O]+ 356.17744 172.9
[M+HCOO]- 418.17838 201.9
[M+CH3COO]- 432.19403 222.2
[M+Na-2H]- 394.15485 185.0
[M]+ 373.17963 193.9
[M]- 373.18073 193.9
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

No patent data available for this compound.