CID 461432

Pd 127367

Structural Information

Molecular Formula
C18H20FN3O3
SMILES
CC1CCN(C1)C2=C(C=C3C(=C2N)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C18H20FN3O3/c1-9-4-5-21(7-9)16-13(19)6-11-15(14(16)20)22(10-2-3-10)8-12(17(11)23)18(24)25/h6,8-10H,2-5,7,20H2,1H3,(H,24,25)
InChIKey
RGOZPJSUQUUEJJ-UHFFFAOYSA-N
Compound name
8-amino-1-cyclopropyl-6-fluoro-7-(3-methylpyrrolidin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

345.14886 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15614 179.7
[M+Na]+ 368.13808 190.4
[M-H]- 344.14158 185.9
[M+NH4]+ 363.18268 187.8
[M+K]+ 384.11202 182.7
[M+H-H2O]+ 328.14612 171.4
[M+HCOO]- 390.14706 195.7
[M+CH3COO]- 404.16271 217.0
[M+Na-2H]- 366.12353 177.0
[M]+ 345.14831 179.8
[M]- 345.14941 179.8
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.