CID 40771

Brn 0711444

Structural Information

Molecular Formula
C22H26N2O3
SMILES
C=CCC1(C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3CCCCC3)CC=C
InChI
InChI=1S/C22H26N2O3/c1-3-15-22(16-4-2)19(25)23(17-11-7-5-8-12-17)21(27)24(20(22)26)18-13-9-6-10-14-18/h3-5,7-8,11-12,18H,1-2,6,9-10,13-16H2
InChIKey
IVSSDXBCDGDZMI-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-phenyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.19434 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 191.5
[M+Na]+ 389.18356 203.4
[M+NH4]+ 384.22816 198.3
[M+K]+ 405.15750 193.6
[M-H]- 365.18706 194.8
[M+Na-2H]- 387.16901 197.5
[M]+ 366.19379 194.0
[M]- 366.19489 194.0
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

No patent data available for this compound.