CID 465562

112811-57-1

Structural Information

Molecular Formula
C18H20FN3O4
SMILES
COC1=C2C(=CC(=C1N3CCNCC3)F)C(=O)C(=CN2C4CC4)C(=O)O
InChI
InChI=1S/C18H20FN3O4/c1-26-17-14-11(8-13(19)15(17)21-6-4-20-5-7-21)16(23)12(18(24)25)9-22(14)10-2-3-10/h8-10,20H,2-7H2,1H3,(H,24,25)
InChIKey
XJCSNIFKGXSDGN-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

58
Patents

361.1438 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15108 188.4
[M+Na]+ 384.13302 201.3
[M+NH4]+ 379.17762 193.7
[M+K]+ 400.10696 197.4
[M-H]- 360.13652 196.0
[M+Na-2H]- 382.11847 193.9
[M]+ 361.14325 193.2
[M]- 361.14435 193.2
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