CID 44148884

Einecs 281-330-4

Structural Information

Molecular Formula
C16H21N3O3
SMILES
CCOC(=O)N1CCC2(CC1)C(=O)NCN2C3=CC=CC=C3
InChI
InChI=1S/C16H21N3O3/c1-2-22-15(21)18-10-8-16(9-11-18)14(20)17-12-19(16)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,17,20)
InChIKey
ZKXWZAXKNCJMQA-UHFFFAOYSA-N
Compound name
ethyl 4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1583 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.165576 173.0
[M+Na]+ 326.147518 178.0
[M-H]- 302.151024 175.6
[M+NH4]+ 321.192123 186.7
[M+K]+ 342.121458 174.0
[M+H-H2O]+ 286.155560 163.4
[M+HCOO]- 348.156501 186.1
[M+CH3COO]- 362.172151 197.5
[M+Na-2H]- 324.132966 173.2
[M]+ 303.15775142 167.5
[M]- 303.15884858 167.5
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

No patent data available for this compound.