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 193.4
[M-H]- 361.15578 197.5
[M+NH4]+ 380.19688 197.3
[M+K]+ 401.12622 187.3
[M+H-H2O]+ 345.16032 176.5
[M+HCOO]- 407.16126 202.6
[M+CH3COO]- 421.17691 196.8
[M+Na-2H]- 383.13773 187.7
[M]+ 362.16251 181.6
[M]- 362.16361 181.6
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