CID 62959

Trovafloxacin

Structural Information

Molecular Formula
C20H15F3N4O3
SMILES
C1[C@@H]2[C@@H](C2N)CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F
InChI
InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/t10-,11+,16?
InChIKey
WVPSKSLAZQPAKQ-SOSAQKQKSA-N
Compound name
7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

725
References

23859
Patents

416.10962 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.11690 197.0
[M+Na]+ 439.09884 207.9
[M+NH4]+ 434.14344 201.0
[M+K]+ 455.07278 205.9
[M-H]- 415.10234 202.4
[M+Na-2H]- 437.08429 200.5
[M]+ 416.10907 200.6
[M]- 416.11017 200.6
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