CID 199389

Barbituric acid, 1-(4-hydroxycyclohexyl)-5-phenyl-

Structural Information

Molecular Formula
C16H18N2O4
SMILES
C1CC(CCC1N2C(=O)C(C(=O)NC2=O)C3=CC=CC=C3)O
InChI
InChI=1S/C16H18N2O4/c19-12-8-6-11(7-9-12)18-15(21)13(14(20)17-16(18)22)10-4-2-1-3-5-10/h1-5,11-13,19H,6-9H2,(H,17,20,22)
InChIKey
HRVVJJDUNHCKES-UHFFFAOYSA-N
Compound name
1-(4-hydroxycyclohexyl)-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.12665 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.133926 171.3
[M+Na]+ 325.115868 176.4
[M-H]- 301.119374 174.9
[M+NH4]+ 320.160473 181.6
[M+K]+ 341.089808 171.2
[M+H-H2O]+ 285.123910 161.8
[M+HCOO]- 347.124851 183.2
[M+CH3COO]- 361.140501 199.1
[M+Na-2H]- 323.101316 170.3
[M]+ 302.12610142 162.8
[M]- 302.12719858 162.8
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