CID 3077284

1-oxa-3,8-diazaspiro(4.5)decan-2-one, 3-cyclohexyl-4-methylene-8-(2-phenylethyl)-

Structural Information

Molecular Formula
C22H30N2O2
SMILES
C=C1C2(CCN(CC2)CCC3=CC=CC=C3)OC(=O)N1C4CCCCC4
InChI
InChI=1S/C22H30N2O2/c1-18-22(26-21(25)24(18)20-10-6-3-7-11-20)13-16-23(17-14-22)15-12-19-8-4-2-5-9-19/h2,4-5,8-9,20H,1,3,6-7,10-17H2
InChIKey
RMIAOQVGIXLKAW-UHFFFAOYSA-N
Compound name
3-cyclohexyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

354.23074 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.238016 190.1
[M+Na]+ 377.219958 192.5
[M-H]- 353.223464 197.5
[M+NH4]+ 372.264563 201.8
[M+K]+ 393.193898 187.8
[M+H-H2O]+ 337.228000 178.9
[M+HCOO]- 399.228941 200.7
[M+CH3COO]- 413.244591 197.4
[M+Na-2H]- 375.205406 187.1
[M]+ 354.23019142 181.0
[M]- 354.23128858 181.0
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