CID 479024

1-cyclopropyl-7-[3-(dimethylamino)propylamino]-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C18H22FN3O3
SMILES
CN(C)CCCNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C18H22FN3O3/c1-21(2)7-3-6-20-15-9-16-12(8-14(15)19)17(23)13(18(24)25)10-22(16)11-4-5-11/h8-11,20H,3-7H2,1-2H3,(H,24,25)
InChIKey
DENANENXKIBCEM-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[3-(dimethylamino)propylamino]-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.16452 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17180 179.0
[M+Na]+ 370.15374 188.1
[M-H]- 346.15724 184.7
[M+NH4]+ 365.19834 187.1
[M+K]+ 386.12768 182.4
[M+H-H2O]+ 330.16178 169.9
[M+HCOO]- 392.16272 199.2
[M+CH3COO]- 406.17837 223.7
[M+Na-2H]- 368.13919 180.5
[M]+ 347.16397 183.6
[M]- 347.16507 183.6
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.