CID 40427565

Tert-butyl 4-oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate

Structural Information

Molecular Formula
C18H23NO4
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C18H23NO4/c1-17(2,3)23-16(21)19-10-8-18(9-11-19)12-14(20)13-6-4-5-7-15(13)22-18/h4-7H,8-12H2,1-3H3
InChIKey
UBIJXGGLEBMDOG-UHFFFAOYSA-N
Compound name
tert-butyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

317.16272 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.169996 174.6
[M+Na]+ 340.151938 179.9
[M-H]- 316.155444 179.4
[M+NH4]+ 335.196543 189.5
[M+K]+ 356.125878 178.7
[M+H-H2O]+ 300.159980 166.8
[M+HCOO]- 362.160921 186.4
[M+CH3COO]- 376.176571 204.5
[M+Na-2H]- 338.137386 179.7
[M]+ 317.16217142 172.6
[M]- 317.16326858 172.6
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

patents stripe