CID 121229309

1250999-70-2

Structural Information

Molecular Formula
C17H22N2O3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C17H22N2O3/c1-16(2,3)22-15(21)19-10-17(11-19)9-13(18-14(17)20)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,20)
InChIKey
VDOMSATVJOYSNP-UHFFFAOYSA-N
Compound name
tert-butyl 5-oxo-7-phenyl-2,6-diazaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.16306 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.170336 172.1
[M+Na]+ 325.152278 176.9
[M-H]- 301.155784 176.6
[M+NH4]+ 320.196883 181.4
[M+K]+ 341.126218 176.5
[M+H-H2O]+ 285.160320 160.2
[M+HCOO]- 347.161261 185.9
[M+CH3COO]- 361.176911 201.4
[M+Na-2H]- 323.137726 173.2
[M]+ 302.16251142 178.4
[M]- 302.16360858 178.4
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.