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

7
Patents

354.23074 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.23802 190.1
[M+Na]+ 377.21996 192.5
[M-H]- 353.22346 197.5
[M+NH4]+ 372.26456 201.8
[M+K]+ 393.19390 187.8
[M+H-H2O]+ 337.22800 178.9
[M+HCOO]- 399.22894 200.7
[M+CH3COO]- 413.24459 197.4
[M+Na-2H]- 375.20541 187.1
[M]+ 354.23019 181.0
[M]- 354.23129 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