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

83
Patents

317.16272 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17000 174.6
[M+Na]+ 340.15194 179.9
[M-H]- 316.15544 179.4
[M+NH4]+ 335.19654 189.5
[M+K]+ 356.12588 178.7
[M+H-H2O]+ 300.15998 166.8
[M+HCOO]- 362.16092 186.4
[M+CH3COO]- 376.17657 204.5
[M+Na-2H]- 338.13739 179.7
[M]+ 317.16217 172.6
[M]- 317.16327 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