CID 461437

Pd 109131

Structural Information

Molecular Formula
C18H21FN4O4
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC(=O)N)F)C(=O)O
InChI
InChI=1S/C18H21FN4O4/c1-2-22-9-12(18(26)27)17(25)11-7-13(19)15(8-14(11)22)23-5-3-21(4-6-23)10-16(20)24/h7-9H,2-6,10H2,1H3,(H2,20,24)(H,26,27)
InChIKey
GQTUDLLSZUDOEN-UHFFFAOYSA-N
Compound name
7-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

376.1547 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16198 189.0
[M+Na]+ 399.14392 196.0
[M-H]- 375.14742 189.4
[M+NH4]+ 394.18852 196.5
[M+K]+ 415.11786 190.8
[M+H-H2O]+ 359.15196 178.2
[M+HCOO]- 421.15290 200.3
[M+CH3COO]- 435.16855 221.5
[M+Na-2H]- 397.12937 187.3
[M]+ 376.15415 185.7
[M]- 376.15525 185.7
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.