CID 3077263

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

Structural Information

Molecular Formula
C26H32N2O4
SMILES
COC1=C(C=C(C=C1)CCN2C(=C)C3(CCN(CC3)CCC4=CC=CC=C4)OC2=O)OC
InChI
InChI=1S/C26H32N2O4/c1-20-26(13-17-27(18-14-26)15-11-21-7-5-4-6-8-21)32-25(29)28(20)16-12-22-9-10-23(30-2)24(19-22)31-3/h4-10,19H,1,11-18H2,2-3H3
InChIKey
MLVLWJVPBQEFMC-UHFFFAOYSA-N
Compound name
3-[2-(3,4-dimethoxyphenyl)ethyl]-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

8
Patents

436.2362 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.243476 209.1
[M+Na]+ 459.225418 214.1
[M-H]- 435.228924 217.8
[M+NH4]+ 454.270023 218.0
[M+K]+ 475.199358 209.6
[M+H-H2O]+ 419.233460 197.6
[M+HCOO]- 481.234401 222.9
[M+CH3COO]- 495.250051 229.1
[M+Na-2H]- 457.210866 206.2
[M]+ 436.23565142 209.3
[M]- 436.23674858 209.3
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