CID 465948

Chembl15373

Structural Information

Molecular Formula
C18H20FN3O3
SMILES
C1CC(C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(C4)N)F)C(=O)O
InChI
InChI=1S/C18H20FN3O3/c19-14-6-12-15(7-16(14)21-5-4-10(20)8-21)22(11-2-1-3-11)9-13(17(12)23)18(24)25/h6-7,9-11H,1-5,8,20H2,(H,24,25)
InChIKey
ANWORFUZTMTZBY-UHFFFAOYSA-N
Compound name
7-(3-aminopyrrolidin-1-yl)-1-cyclobutyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

345.14886 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15614 180.5
[M+Na]+ 368.13808 186.2
[M-H]- 344.14158 185.3
[M+NH4]+ 363.18268 186.2
[M+K]+ 384.11202 184.2
[M+H-H2O]+ 328.14612 165.4
[M+HCOO]- 390.14706 194.1
[M+CH3COO]- 404.16271 216.1
[M+Na-2H]- 366.12353 177.1
[M]+ 345.14831 184.5
[M]- 345.14941 184.5
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.