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

6
Patents

436.2362 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.24348 209.3
[M+Na]+ 459.22542 222.0
[M+NH4]+ 454.27002 216.5
[M+K]+ 475.19936 214.0
[M-H]- 435.22892 215.6
[M+Na-2H]- 457.21087 215.9
[M]+ 436.23565 213.0
[M]- 436.23675 213.0
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