CID 6446301

2h-1,3-oxazine-4,6(3h,5h)-dione, 3-cyclohexyl-5,5-di-2-propenyl-2-(phenylmethylene)-

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]+ 366.206376 190.2
[M+Na]+ 388.188318 194.2
[M-H]- 364.191824 197.4
[M+NH4]+ 383.232923 201.2
[M+K]+ 404.162258 188.9
[M+H-H2O]+ 348.196360 180.3
[M+HCOO]- 410.197301 203.5
[M+CH3COO]- 424.212951 215.9
[M+Na-2H]- 386.173766 189.0
[M]+ 365.19855142 184.8
[M]- 365.19964858 184.8
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.