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

12
Patents

286.16812 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.175396 168.8
[M+Na]+ 309.157338 175.4
[M-H]- 285.160844 174.9
[M+NH4]+ 304.201943 184.4
[M+K]+ 325.131278 171.8
[M+H-H2O]+ 269.165380 160.0
[M+HCOO]- 331.166321 184.4
[M+CH3COO]- 345.181971 179.3
[M+Na-2H]- 307.142786 169.9
[M]+ 286.16757142 165.2
[M]- 286.16866858 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