CID 45789695

Tert-butyl 5-fluoro-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate

Structural Information

Molecular Formula
C17H21FN2O3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)C3=C(C=CC(=C3)F)NC2=O
InChI
InChI=1S/C17H21FN2O3/c1-16(2,3)23-15(22)20-8-6-17(7-9-20)12-10-11(18)4-5-13(12)19-14(17)21/h4-5,10H,6-9H2,1-3H3,(H,19,21)
InChIKey
XKVSTTHNVBKSHX-UHFFFAOYSA-N
Compound name
tert-butyl 5-fluoro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

282
Patents

320.15363 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.16091 176.7
[M+Na]+ 343.14285 184.0
[M-H]- 319.14635 177.8
[M+NH4]+ 338.18745 193.1
[M+K]+ 359.11679 179.6
[M+H-H2O]+ 303.15089 169.0
[M+HCOO]- 365.15183 188.0
[M+CH3COO]- 379.16748 202.7
[M+Na-2H]- 341.12830 178.1
[M]+ 320.15308 172.7
[M]- 320.15418 172.7
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