CID 479003

Schembl6304282

Structural Information

Molecular Formula
C20H24FN3O3
SMILES
C1CCN(CC1)CCNC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C20H24FN3O3/c21-16-10-14-18(11-17(16)22-6-9-23-7-2-1-3-8-23)24(13-4-5-13)12-15(19(14)25)20(26)27/h10-13,22H,1-9H2,(H,26,27)
InChIKey
PQQCJPJAZGNQLG-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-4-oxo-7-(2-piperidin-1-ylethylamino)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

373.18018 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18746 189.1
[M+Na]+ 396.16940 196.4
[M-H]- 372.17290 194.0
[M+NH4]+ 391.21400 193.7
[M+K]+ 412.14334 189.1
[M+H-H2O]+ 356.17744 178.5
[M+HCOO]- 418.17838 203.1
[M+CH3COO]- 432.19403 221.3
[M+Na-2H]- 394.15485 189.2
[M]+ 373.17963 187.6
[M]- 373.18073 187.6
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