CID 465448

Pd163052

Structural Information

Molecular Formula
C20H27FN4O3
SMILES
CC(C)N1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=N2)C(C)(C)C)C(=O)O)F
InChI
InChI=1S/C20H27FN4O3/c1-12(2)23-6-8-24(9-7-23)18-15(21)10-13-16(26)14(19(27)28)11-25(17(13)22-18)20(3,4)5/h10-12H,6-9H2,1-5H3,(H,27,28)
InChIKey
KCIZLOMEJHGGKL-UHFFFAOYSA-N
Compound name
1-tert-butyl-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

0
Patents

390.20673 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.21401 198.0
[M+Na]+ 413.19595 205.3
[M-H]- 389.19945 197.6
[M+NH4]+ 408.24055 204.5
[M+K]+ 429.16989 200.1
[M+H-H2O]+ 373.20399 187.2
[M+HCOO]- 435.20493 204.7
[M+CH3COO]- 449.22058 223.5
[M+Na-2H]- 411.18140 196.5
[M]+ 390.20618 196.1
[M]- 390.20728 196.1
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

No patent data available for this compound.