CID 40771

Barbituric acid, 1-cyclohexyl-5,5-diallyl-3-phenyl-

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]+ 367.201616 189.7
[M+Na]+ 389.183558 194.6
[M-H]- 365.187064 195.1
[M+NH4]+ 384.228163 200.6
[M+K]+ 405.157498 188.4
[M+H-H2O]+ 349.191600 179.1
[M+HCOO]- 411.192541 202.7
[M+CH3COO]- 425.208191 217.3
[M+Na-2H]- 387.169006 187.6
[M]+ 366.19379142 184.2
[M]- 366.19488858 184.2
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.