CID 488342

7-[(3s)-3-aminopyrrolidin-1-yl]-6-fluoro-1-(2-fluoroethyl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

Structural Information

Molecular Formula
C16H18F2N4O3
SMILES
CC1=C2C(=O)C(=CN(C2=NC(=C1F)N3CC[C@@H](C3)N)CCF)C(=O)O
InChI
InChI=1S/C16H18F2N4O3/c1-8-11-13(23)10(16(24)25)7-22(5-3-17)14(11)20-15(12(8)18)21-4-2-9(19)6-21/h7,9H,2-6,19H2,1H3,(H,24,25)/t9-/m0/s1
InChIKey
ZTVCWJKPIREXPQ-VIFPVBQESA-N
Compound name
7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-(2-fluoroethyl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.1347 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14198 181.4
[M+Na]+ 375.12392 191.4
[M-H]- 351.12742 181.8
[M+NH4]+ 370.16852 192.6
[M+K]+ 391.09786 185.4
[M+H-H2O]+ 335.13196 171.1
[M+HCOO]- 397.13290 195.3
[M+CH3COO]- 411.14855 216.2
[M+Na-2H]- 373.10937 178.5
[M]+ 352.13415 179.0
[M]- 352.13525 179.0
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.