CID 483614

182869-27-8

Structural Information

Molecular Formula
C21H19F3N4O3
SMILES
CCN1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F
InChI
InChI=1S/C21H19F3N4O3/c1-2-26-5-7-27(8-6-26)20-16(24)10-13-18(29)14(21(30)31)11-28(19(13)25-20)17-4-3-12(22)9-15(17)23/h3-4,9-11H,2,5-8H2,1H3,(H,30,31)
InChIKey
FXPRTGSFWSMMFZ-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.14093 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.14821 206.4
[M+Na]+ 455.13015 216.1
[M-H]- 431.13365 206.8
[M+NH4]+ 450.17475 210.6
[M+K]+ 471.10409 207.6
[M+H-H2O]+ 415.13819 191.3
[M+HCOO]- 477.13913 214.1
[M+CH3COO]- 491.15478 212.5
[M+Na-2H]- 453.11560 203.6
[M]+ 432.14038 202.0
[M]- 432.14148 202.0
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.