CID 479049

1-cyclopropyl-6-fluoro-7-(4-morpholinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

Structural Information

Molecular Formula
C17H17FN2O4
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCOCC4)F)C(=O)O
InChI
InChI=1S/C17H17FN2O4/c18-13-7-11-14(8-15(13)19-3-5-24-6-4-19)20(10-1-2-10)9-12(16(11)21)17(22)23/h7-10H,1-6H2,(H,22,23)
InChIKey
XGSYZQWPDOWCHU-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

332.11725 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12453 179.0
[M+Na]+ 355.10647 188.6
[M-H]- 331.10997 185.3
[M+NH4]+ 350.15107 184.3
[M+K]+ 371.08041 183.6
[M+H-H2O]+ 315.11451 168.6
[M+HCOO]- 377.11545 192.0
[M+CH3COO]- 391.13110 188.0
[M+Na-2H]- 353.09192 180.3
[M]+ 332.11670 179.1
[M]- 332.11780 179.1
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