CID 479014

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

Structural Information

Molecular Formula
C15H14FN3O4
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)NCC(=O)N)F)C(=O)O
InChI
InChI=1S/C15H14FN3O4/c16-10-3-8-12(4-11(10)18-5-13(17)20)19(7-1-2-7)6-9(14(8)21)15(22)23/h3-4,6-7,18H,1-2,5H2,(H2,17,20)(H,22,23)
InChIKey
KZRXGOARBXFTIR-UHFFFAOYSA-N
Compound name
7-[(2-amino-2-oxoethyl)amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.09683 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10411 167.2
[M+Na]+ 342.08605 177.4
[M-H]- 318.08955 171.8
[M+NH4]+ 337.13065 175.4
[M+K]+ 358.05999 171.1
[M+H-H2O]+ 302.09409 159.1
[M+HCOO]- 364.09503 186.7
[M+CH3COO]- 378.11068 214.1
[M+Na-2H]- 340.07150 169.1
[M]+ 319.09628 169.0
[M]- 319.09738 169.0
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.