CID 465469

Pd162278

Structural Information

Molecular Formula
C19H24FN3O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(C)C)F)C(=O)O
InChI
InChI=1S/C19H24FN3O3/c1-4-21-11-14(19(25)26)18(24)13-9-15(20)17(10-16(13)21)23-7-5-22(6-8-23)12(2)3/h9-12H,4-8H2,1-3H3,(H,25,26)
InChIKey
CPSYGCFRGMVHFY-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-4-oxo-7-(4-propan-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

361.18018 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18746 187.6
[M+Na]+ 384.16940 195.0
[M-H]- 360.17290 188.3
[M+NH4]+ 379.21400 196.6
[M+K]+ 400.14334 189.6
[M+H-H2O]+ 344.17744 176.8
[M+HCOO]- 406.17838 197.7
[M+CH3COO]- 420.19403 217.9
[M+Na-2H]- 382.15485 185.5
[M]+ 361.17963 185.5
[M]- 361.18073 185.5
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