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

6
Patents

328.2151 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.22238 182.1
[M+Na]+ 351.20432 187.7
[M-H]- 327.20782 187.9
[M+NH4]+ 346.24892 196.1
[M+K]+ 367.17826 184.1
[M+H-H2O]+ 311.21236 173.6
[M+HCOO]- 373.21330 195.0
[M+CH3COO]- 387.22895 208.4
[M+Na-2H]- 349.18977 182.7
[M]+ 328.21455 179.0
[M]- 328.21565 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