CID 488334

1,8-naphthyridine-3-carboxylic acid, 7-(2,5-diazabicyclo[2.2.1]hept-2-yl)-6-fluoro-1-[2-fluoro-1-(fluoromethyl)-1-methylethyl]-1,4-dihydro-4-oxo-

Structural Information

Molecular Formula
C18H19F3N4O3
SMILES
CC(CF)(CF)N1C=C(C(=O)C2=CC(=C(N=C21)N3CC4CC3CN4)F)C(=O)O
InChI
InChI=1S/C18H19F3N4O3/c1-18(7-19,8-20)25-6-12(17(27)28)14(26)11-3-13(21)16(23-15(11)25)24-5-9-2-10(24)4-22-9/h3,6,9-10,22H,2,4-5,7-8H2,1H3,(H,27,28)
InChIKey
WWHSHEYILIGFDT-UHFFFAOYSA-N
Compound name
7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1-(1,3-difluoro-2-methylpropan-2-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.14093 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.14821 193.5
[M+Na]+ 419.13015 202.5
[M-H]- 395.13365 189.9
[M+NH4]+ 414.17475 204.4
[M+K]+ 435.10409 195.7
[M+H-H2O]+ 379.13819 183.7
[M+HCOO]- 441.13913 199.6
[M+CH3COO]- 455.15478 219.0
[M+Na-2H]- 417.11560 190.6
[M]+ 396.14038 190.4
[M]- 396.14148 190.4
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.