CID 461887

Pd 116700

Structural Information

Molecular Formula
C20H26FN5O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CC(C3)CN4CCN(CC4)C)F)C(=O)O
InChI
InChI=1S/C20H26FN5O3/c1-3-25-12-15(20(28)29)17(27)14-8-16(21)19(22-18(14)25)26-10-13(11-26)9-24-6-4-23(2)5-7-24/h8,12-13H,3-7,9-11H2,1-2H3,(H,28,29)
InChIKey
QSYXNPWVTJRUDD-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-7-[3-[(4-methylpiperazin-1-yl)methyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

403.20197 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.20925 204.2
[M+Na]+ 426.19119 210.2
[M-H]- 402.19469 204.4
[M+NH4]+ 421.23579 202.2
[M+K]+ 442.16513 206.9
[M+H-H2O]+ 386.19923 185.6
[M+HCOO]- 448.20017 210.2
[M+CH3COO]- 462.21582 227.4
[M+Na-2H]- 424.17664 200.5
[M]+ 403.20142 209.6
[M]- 403.20252 209.6
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.