CID 49760902

889139-52-0

Structural Information

Molecular Formula
C18H26N2O2
SMILES
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C3(C1)CCNCC3
InChI
InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-12-14-6-4-5-7-15(14)18(13-20)8-10-19-11-9-18/h4-7,19H,8-13H2,1-3H3
InChIKey
PYRPHEQXDLNURT-UHFFFAOYSA-N
Compound name
tert-butyl spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

302.19943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.20671 175.1
[M+Na]+ 325.18865 185.5
[M+NH4]+ 320.23325 183.9
[M+K]+ 341.16259 177.5
[M-H]- 301.19215 176.4
[M+Na-2H]- 323.17410 180.4
[M]+ 302.19888 177.0
[M]- 302.19998 177.0
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