CID 3684314

93594-20-8

Structural Information

Molecular Formula
C19H20FN3O4
SMILES
CC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C19H20FN3O4/c1-11(24)21-4-6-22(7-5-21)17-9-16-13(8-15(17)20)18(25)14(19(26)27)10-23(16)12-2-3-12/h8-10,12H,2-7H2,1H3,(H,26,27)
InChIKey
VIISGXFPKLOPRI-UHFFFAOYSA-N
Compound name
7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

54
Patents

373.1438 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.15108 193.8
[M+Na]+ 396.13302 202.9
[M-H]- 372.13652 197.9
[M+NH4]+ 391.17762 197.4
[M+K]+ 412.10696 195.8
[M+H-H2O]+ 356.14106 183.1
[M+HCOO]- 418.14200 204.9
[M+CH3COO]- 432.15765 219.2
[M+Na-2H]- 394.11847 191.5
[M]+ 373.14325 193.3
[M]- 373.14435 193.3
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