CID 71455

Premafloxacin

Structural Information

Molecular Formula
C21H26FN3O4
SMILES
C[C@@H]([C@@H]1CCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)NC
InChI
InChI=1S/C21H26FN3O4/c1-11(23-2)12-6-7-24(9-12)18-16(22)8-14-17(20(18)29-3)25(13-4-5-13)10-15(19(14)26)21(27)28/h8,10-13,23H,4-7,9H2,1-3H3,(H,27,28)/t11-,12+/m0/s1
InChIKey
SUQUWONDIBHQOZ-NWDGAFQWSA-N
Compound name
1-cyclopropyl-6-fluoro-8-methoxy-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

483
Patents

403.19073 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.19801 193.9
[M+Na]+ 426.17995 202.6
[M-H]- 402.18345 200.0
[M+NH4]+ 421.22455 199.7
[M+K]+ 442.15389 195.7
[M+H-H2O]+ 386.18799 185.2
[M+HCOO]- 448.18893 208.6
[M+CH3COO]- 462.20458 229.0
[M+Na-2H]- 424.16540 189.9
[M]+ 403.19018 196.7
[M]- 403.19128 196.7
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.