CID 3077256

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

Structural Information

Molecular Formula
C20H28N2O2
SMILES
CC(C)(C)N1C(=C)C2(CCN(CC2)CCC3=CC=CC=C3)OC1=O
InChI
InChI=1S/C20H28N2O2/c1-16-20(24-18(23)22(16)19(2,3)4)11-14-21(15-12-20)13-10-17-8-6-5-7-9-17/h5-9H,1,10-15H2,2-4H3
InChIKey
JWLLFCONZBEGJS-UHFFFAOYSA-N
Compound name
3-tert-butyl-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

9
Patents

328.2151 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.222376 182.1
[M+Na]+ 351.204318 187.7
[M-H]- 327.207824 187.9
[M+NH4]+ 346.248923 196.1
[M+K]+ 367.178258 184.1
[M+H-H2O]+ 311.212360 173.6
[M+HCOO]- 373.213301 195.0
[M+CH3COO]- 387.228951 208.4
[M+Na-2H]- 349.189766 182.7
[M]+ 328.21455142 179.0
[M]- 328.21564858 179.0
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