CID 60464

Sparfloxacin

Structural Information

Molecular Formula
C19H22F2N4O3
SMILES
C[C@@H]1CN(C[C@@H](N1)C)C2=C(C(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)N)F
InChI
InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+
InChIKey
DZZWHBIBMUVIIW-DTORHVGOSA-N
Compound name
5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1019
References

25937
Patents

392.166 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.17328 194.6
[M+Na]+ 415.15522 205.4
[M+NH4]+ 410.19982 198.5
[M+K]+ 431.12916 202.4
[M-H]- 391.15872 200.9
[M+Na-2H]- 413.14067 197.8
[M]+ 392.16545 198.4
[M]- 392.16655 198.4
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