CID 170454620

7-[2-aminoethyl(2-oxoethyl)amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C17H18FN3O4
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N(CCN)CC=O)F)C(=O)O
InChI
InChI=1S/C17H18FN3O4/c18-13-7-11-14(8-15(13)20(4-3-19)5-6-22)21(10-1-2-10)9-12(16(11)23)17(24)25/h6-10H,1-5,19H2,(H,24,25)
InChIKey
GJBFLHBCPYOXDF-UHFFFAOYSA-N
Compound name
7-[2-aminoethyl(2-oxoethyl)amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.12814 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.135416 177.0
[M+Na]+ 370.117358 186.7
[M-H]- 346.120864 182.5
[M+NH4]+ 365.161963 184.7
[M+K]+ 386.091298 180.8
[M+H-H2O]+ 330.125400 168.2
[M+HCOO]- 392.126341 197.3
[M+CH3COO]- 406.141991 221.9
[M+Na-2H]- 368.102806 178.2
[M]+ 347.12759142 181.1
[M]- 347.12868858 181.1
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.