CID 3077247

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

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CN1C(=C)C2(CCN(CC2)CCC3=CC=CC=C3)OC1=O
InChI
InChI=1S/C17H22N2O2/c1-14-17(21-16(20)18(14)2)9-12-19(13-10-17)11-8-15-6-4-3-5-7-15/h3-7H,1,8-13H2,2H3
InChIKey
CXCWJIXRYUBKKM-UHFFFAOYSA-N
Compound name
3-methyl-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

286.16812 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 168.8
[M+Na]+ 309.15734 175.4
[M-H]- 285.16084 174.9
[M+NH4]+ 304.20194 184.4
[M+K]+ 325.13128 171.8
[M+H-H2O]+ 269.16538 160.0
[M+HCOO]- 331.16632 184.4
[M+CH3COO]- 345.18197 179.3
[M+Na-2H]- 307.14279 169.9
[M]+ 286.16757 165.2
[M]- 286.16867 165.2
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