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

3
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

literature stripe

Patent stripe

patents stripe