CID 57613911

897670-78-9

Structural Information

Molecular Formula
C19H26N2O3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)C(CNC2=O)C3=CC=CC=C3
InChI
InChI=1S/C19H26N2O3/c1-18(2,3)24-17(23)21-11-9-19(10-12-21)15(13-20-16(19)22)14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,20,22)
InChIKey
HKNZTOBKFBILCB-UHFFFAOYSA-N
Compound name
tert-butyl 1-oxo-4-phenyl-2,8-diazaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

330.19434 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20162 182.0
[M+Na]+ 353.18356 186.3
[M-H]- 329.18706 185.9
[M+NH4]+ 348.22816 196.3
[M+K]+ 369.15750 182.3
[M+H-H2O]+ 313.19160 173.9
[M+HCOO]- 375.19254 193.9
[M+CH3COO]- 389.20819 203.3
[M+Na-2H]- 351.16901 182.0
[M]+ 330.19379 176.5
[M]- 330.19489 176.5
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