CID 479006

1-cyclopropyl-7-[2-diethylaminoethyl(methyl)amino]-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C20H26FN3O3
SMILES
CCN(CC)CCN(C)C1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C20H26FN3O3/c1-4-23(5-2)9-8-22(3)18-11-17-14(10-16(18)21)19(25)15(20(26)27)12-24(17)13-6-7-13/h10-13H,4-9H2,1-3H3,(H,26,27)
InChIKey
HGSVJKVFIKDNGK-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[2-(diethylamino)ethyl-methylamino]-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.19583 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20311 188.1
[M+Na]+ 398.18505 196.4
[M-H]- 374.18855 194.9
[M+NH4]+ 393.22965 195.7
[M+K]+ 414.15899 191.6
[M+H-H2O]+ 358.19309 178.6
[M+HCOO]- 420.19403 208.1
[M+CH3COO]- 434.20968 232.4
[M+Na-2H]- 396.17050 187.9
[M]+ 375.19528 194.5
[M]- 375.19638 194.5
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

No patent data available for this compound.