CID 3078856

123016-47-7

Structural Information

Molecular Formula
C19H23FN4O3
SMILES
C[C@@H]1CN(C[C@@H](N1)C)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)N)F
InChI
InChI=1S/C19H23FN4O3/c1-9-6-23(7-10(2)22-9)14-5-13-15(17(21)16(14)20)18(25)12(19(26)27)8-24(13)11-3-4-11/h5,8-11,22H,3-4,6-7,21H2,1-2H3,(H,26,27)/t9-,10+
InChIKey
FJKKQUMMLOQJPY-AOOOYVTPSA-N
Compound name
5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

374.1754 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18268 190.8
[M+Na]+ 397.16462 203.2
[M+NH4]+ 392.20922 195.9
[M+K]+ 413.13856 199.7
[M-H]- 373.16812 199.1
[M+Na-2H]- 395.15007 195.5
[M]+ 374.17485 195.6
[M]- 374.17595 195.6
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

patents stripe