CID 483609

182868-82-2

Structural Information

Molecular Formula
C21H26FN3O4
SMILES
CCN1CCN(CC1)C2=C(C=C3C(=C2OCC)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C21H26FN3O4/c1-3-23-7-9-24(10-8-23)18-16(22)11-14-17(20(18)29-4-2)25(13-5-6-13)12-15(19(14)26)21(27)28/h11-13H,3-10H2,1-2H3,(H,27,28)
InChIKey
NLAFJXNLLRYMPJ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-8-ethoxy-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.19073 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.19801 204.4
[M+Na]+ 426.17995 213.4
[M-H]- 402.18345 208.3
[M+NH4]+ 421.22455 207.1
[M+K]+ 442.15389 205.8
[M+H-H2O]+ 386.18799 193.1
[M+HCOO]- 448.18893 215.4
[M+CH3COO]- 462.20458 226.4
[M+Na-2H]- 424.16540 201.3
[M]+ 403.19018 206.2
[M]- 403.19128 206.2
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

No patent data available for this compound.