CID 212074

5-(p-(trimethylsilyl)benzyl)-5-ethylbarbituric acid

Structural Information

Molecular Formula
C16H22N2O3Si
SMILES
CCC1(C(=O)NC(=O)NC1=O)CC2=CC=C(C=C2)[Si](C)(C)C
InChI
InChI=1S/C16H22N2O3Si/c1-5-16(13(19)17-15(21)18-14(16)20)10-11-6-8-12(9-7-11)22(2,3)4/h6-9H,5,10H2,1-4H3,(H2,17,18,19,20,21)
InChIKey
VOJCHYOLAZUFBU-UHFFFAOYSA-N
Compound name
5-ethyl-5-[(4-trimethylsilylphenyl)methyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.13998 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14726 174.4
[M+Na]+ 341.12920 181.4
[M-H]- 317.13270 175.5
[M+NH4]+ 336.17380 187.5
[M+K]+ 357.10314 176.3
[M+H-H2O]+ 301.13724 167.1
[M+HCOO]- 363.13818 187.2
[M+CH3COO]- 377.15383 201.1
[M+Na-2H]- 339.11465 176.4
[M]+ 318.13943 171.3
[M]- 318.14053 171.3
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.