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 209.1
[M+Na]+ 459.22542 214.1
[M-H]- 435.22892 217.8
[M+NH4]+ 454.27002 218.0
[M+K]+ 475.19936 209.6
[M+H-H2O]+ 419.23346 197.6
[M+HCOO]- 481.23440 222.9
[M+CH3COO]- 495.25005 229.1
[M+Na-2H]- 457.21087 206.2
[M]+ 436.23565 209.3
[M]- 436.23675 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