CID 483605

182869-25-6

Structural Information

Molecular Formula
C21H19F3N4O3
SMILES
CC1CN(CC(N1)C)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/c1-10-7-27(8-11(2)25-10)20-16(24)6-13-18(29)14(21(30)31)9-28(19(13)26-20)17-4-3-12(22)5-15(17)23/h3-6,9-11,25H,7-8H2,1-2H3,(H,30,31)
InChIKey
BCZKYBWWGIIFRH-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-7-(3,5-dimethylpiperazin-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 207.5
[M+Na]+ 455.13015 217.7
[M-H]- 431.13365 207.1
[M+NH4]+ 450.17475 211.4
[M+K]+ 471.10409 208.6
[M+H-H2O]+ 415.13819 193.2
[M+HCOO]- 477.13913 213.7
[M+CH3COO]- 491.15478 213.3
[M+Na-2H]- 453.11560 203.5
[M]+ 432.14038 201.9
[M]- 432.14148 201.9
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.