CID 384769

Nsc675205

Structural Information

Molecular Formula
C25H28F4N4O6
SMILES
CCC(=O)NC(C(=O)OCC)(C(F)(F)F)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C25H28F4N4O6/c1-3-20(34)30-24(25(27,28)29,23(38)39-4-2)32-9-7-31(8-10-32)19-12-18-15(11-17(19)26)21(35)16(22(36)37)13-33(18)14-5-6-14/h11-14H,3-10H2,1-2H3,(H,30,34)(H,36,37)
InChIKey
LPMATLYZOMJOIQ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[4-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(propanoylamino)propan-2-yl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.1945 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.20178 226.6
[M+Na]+ 579.18372 232.1
[M-H]- 555.18722 226.3
[M+NH4]+ 574.22832 222.4
[M+K]+ 595.15766 225.4
[M+H-H2O]+ 539.19176 214.4
[M+HCOO]- 601.19270 230.1
[M+CH3COO]- 615.20835 252.5
[M+Na-2H]- 577.16917 223.6
[M]+ 556.19395 225.0
[M]- 556.19505 225.0
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.