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 190.2
[M+Na]+ 388.18832 194.2
[M-H]- 364.19182 197.4
[M+NH4]+ 383.23292 201.2
[M+K]+ 404.16226 188.9
[M+H-H2O]+ 348.19636 180.3
[M+HCOO]- 410.19730 203.5
[M+CH3COO]- 424.21295 215.9
[M+Na-2H]- 386.17377 189.0
[M]+ 365.19855 184.8
[M]- 365.19965 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.