CID 165992167

Tert-butyl 2-benzyl-2,5,8-triazaspiro[3.5]nonane-8-carboxylate

Structural Information

Molecular Formula
C18H27N3O2
SMILES
CC(C)(C)OC(=O)N1CCNC2(C1)CN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H27N3O2/c1-17(2,3)23-16(22)21-10-9-19-18(14-21)12-20(13-18)11-15-7-5-4-6-8-15/h4-8,19H,9-14H2,1-3H3
InChIKey
JHFNSCQLWNCVKX-UHFFFAOYSA-N
Compound name
tert-butyl 2-benzyl-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.21033 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.21761 178.6
[M+Na]+ 340.19955 184.3
[M+NH4]+ 335.24415 181.9
[M+K]+ 356.17349 179.1
[M-H]- 316.20305 177.1
[M+Na-2H]- 338.18500 182.2
[M]+ 317.20978 177.7
[M]- 317.21088 177.7
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.