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]+ 363.170336 189.0
[M+Na]+ 385.152278 193.4
[M-H]- 361.155784 197.5
[M+NH4]+ 380.196883 197.3
[M+K]+ 401.126218 187.3
[M+H-H2O]+ 345.160320 176.5
[M+HCOO]- 407.161261 202.6
[M+CH3COO]- 421.176911 196.8
[M+Na-2H]- 383.137726 187.7
[M]+ 362.16251142 181.6
[M]- 362.16360858 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