CID 14725

Barbituric acid, 5-cyclohexyl-1,3-diphenyl-

Structural Information

Molecular Formula
C22H22N2O3
SMILES
C1CCC(CC1)C2C(=O)N(C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H22N2O3/c25-20-19(16-10-4-1-5-11-16)21(26)24(18-14-8-3-9-15-18)22(27)23(20)17-12-6-2-7-13-17/h2-3,6-9,12-16,19H,1,4-5,10-11H2
InChIKey
OODLKCKQFLUWOT-UHFFFAOYSA-N
Compound name
5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

362.16306 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.17034 189.0
[M+Na]+ 385.15228 203.7
[M+NH4]+ 380.19688 196.1
[M+K]+ 401.12622 195.2
[M-H]- 361.15578 195.8
[M+Na-2H]- 383.13773 197.7
[M]+ 362.16251 192.9
[M]- 362.16361 192.9
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

patents stripe