CID 461441

Pd 111834

Structural Information

Molecular Formula
C14H14FN3O3S
SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCSC3)F)C(=O)O
InChI
InChI=1S/C14H14FN3O3S/c1-2-17-6-9(14(20)21)11(19)8-5-10(15)13(16-12(8)17)18-3-4-22-7-18/h5-6H,2-4,7H2,1H3,(H,20,21)
InChIKey
CCPFENJVIWXKFU-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-4-oxo-7-(1,3-thiazolidin-3-yl)-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

323.074 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.08128 170.7
[M+Na]+ 346.06322 181.0
[M-H]- 322.06672 172.6
[M+NH4]+ 341.10782 184.0
[M+K]+ 362.03716 175.5
[M+H-H2O]+ 306.07126 162.4
[M+HCOO]- 368.07220 181.3
[M+CH3COO]- 382.08785 180.9
[M+Na-2H]- 344.04867 169.0
[M]+ 323.07345 172.1
[M]- 323.07455 172.1
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

patents stripe