CID 465567

104866-28-6

Structural Information

Molecular Formula
C19H23FN4O3
SMILES
CC(C)N1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F
InChI
InChI=1S/C19H23FN4O3/c1-11(2)22-5-7-23(8-6-22)18-15(20)9-13-16(25)14(19(26)27)10-24(12-3-4-12)17(13)21-18/h9-12H,3-8H2,1-2H3,(H,26,27)
InChIKey
GMAUTLXWBQWSHY-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-4-oxo-7-(4-propan-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

374.1754 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18268 199.8
[M+Na]+ 397.16462 208.9
[M-H]- 373.16812 202.5
[M+NH4]+ 392.20922 202.1
[M+K]+ 413.13856 201.0
[M+H-H2O]+ 357.17266 188.3
[M+HCOO]- 419.17360 209.3
[M+CH3COO]- 433.18925 221.0
[M+Na-2H]- 395.15007 197.0
[M]+ 374.17485 199.1
[M]- 374.17595 199.1
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.