CID 465554

Pd160793

Structural Information

Molecular Formula
C19H22FN3O3
SMILES
CCC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C19H22FN3O3/c1-2-11-9-22(6-5-21-11)17-8-16-13(7-15(17)20)18(24)14(19(25)26)10-23(16)12-3-4-12/h7-8,10-12,21H,2-6,9H2,1H3,(H,25,26)
InChIKey
PJDBOWKFHAMMHJ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-(3-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

28
Patents

359.16452 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17180 191.3
[M+Na]+ 382.15374 200.3
[M-H]- 358.15724 194.0
[M+NH4]+ 377.19834 195.0
[M+K]+ 398.12768 191.8
[M+H-H2O]+ 342.16178 180.7
[M+HCOO]- 404.16272 201.7
[M+CH3COO]- 418.17837 198.2
[M+Na-2H]- 380.13919 189.6
[M]+ 359.16397 189.1
[M]- 359.16507 189.1
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

patents stripe