CID 483399

Schembl8133417

Structural Information

Molecular Formula
C23H23ClFN3O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CC5C6CCC(C5C4)(C=C6)N)F)C(=O)O
InChI
InChI=1S/C23H23ClFN3O3/c24-18-19-13(21(29)15(22(30)31)9-28(19)12-1-2-12)7-17(25)20(18)27-8-14-11-3-5-23(26,6-4-11)16(14)10-27/h3,5,7,9,11-12,14,16H,1-2,4,6,8,10,26H2,(H,30,31)
InChIKey
FCSBDHUCNYNVDJ-UHFFFAOYSA-N
Compound name
7-(1-amino-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

443.1412 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.14848 196.2
[M+Na]+ 466.13042 204.8
[M-H]- 442.13392 197.1
[M+NH4]+ 461.17502 206.7
[M+K]+ 482.10436 196.2
[M+H-H2O]+ 426.13846 187.7
[M+HCOO]- 488.13940 195.8
[M+CH3COO]- 502.15505 202.1
[M+Na-2H]- 464.11587 197.5
[M]+ 443.14065 200.2
[M]- 443.14175 200.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.