CID 3069865

Barbituric acid, 5-ethyl-1-isopropyl-5-phenyl-

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)C(C)C)C2=CC=CC=C2
InChI
InChI=1S/C15H18N2O3/c1-4-15(11-8-6-5-7-9-11)12(18)16-14(20)17(10(2)3)13(15)19/h5-10H,4H2,1-3H3,(H,16,18,20)
InChIKey
HNGDKRLBOXOMGC-UHFFFAOYSA-N
Compound name
5-ethyl-5-phenyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.13174 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.139016 162.2
[M+Na]+ 297.120958 170.0
[M-H]- 273.124464 165.0
[M+NH4]+ 292.165563 177.2
[M+K]+ 313.094898 166.2
[M+H-H2O]+ 257.129000 154.7
[M+HCOO]- 319.129941 178.0
[M+CH3COO]- 333.145591 197.8
[M+Na-2H]- 295.106406 163.8
[M]+ 274.13119142 160.2
[M]- 274.13228858 160.2
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