CID 6446301

Brn 4941217

Structural Information

Molecular Formula
C23H27NO3
SMILES
C=CCC1(C(=O)N(/C(=C/C2=CC=CC=C2)/OC1=O)C3CCCCC3)CC=C
InChI
InChI=1S/C23H27NO3/c1-3-15-23(16-4-2)21(25)24(19-13-9-6-10-14-19)20(27-22(23)26)17-18-11-7-5-8-12-18/h3-5,7-8,11-12,17,19H,1-2,6,9-10,13-16H2/b20-17-
InChIKey
FKOXZHBLSOMCTJ-JZJYNLBNSA-N
Compound name
(2Z)-2-benzylidene-3-cyclohexyl-5,5-bis(prop-2-enyl)-1,3-oxazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1991 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20638 191.6
[M+Na]+ 388.18832 203.7
[M+NH4]+ 383.23292 199.0
[M+K]+ 404.16226 193.4
[M-H]- 364.19182 197.0
[M+Na-2H]- 386.17377 197.6
[M]+ 365.19855 194.8
[M]- 365.19965 194.8
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

No patent data available for this compound.