CID 24958721

168031-11-6

Structural Information

Molecular Formula
C20H25FN4O5
SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCN(CC3)C(=O)OC(C)(C)C)F)C(=O)O
InChI
InChI=1S/C20H25FN4O5/c1-5-23-11-13(18(27)28)15(26)12-10-14(21)17(22-16(12)23)24-6-8-25(9-7-24)19(29)30-20(2,3)4/h10-11H,5-9H2,1-4H3,(H,27,28)
InChIKey
WEEPOTWDRYRDGX-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

420.1809 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.18818 202.2
[M+Na]+ 443.17012 209.4
[M-H]- 419.17362 201.9
[M+NH4]+ 438.21472 207.3
[M+K]+ 459.14406 205.1
[M+H-H2O]+ 403.17816 191.3
[M+HCOO]- 465.17910 209.5
[M+CH3COO]- 479.19475 226.1
[M+Na-2H]- 441.15557 201.2
[M]+ 420.18035 202.3
[M]- 420.18145 202.3
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

patents stripe