CID 3079726

Acide (diphenyl-1,2 ethyl)-5 acetoxy-5 barbiturique [french]

Structural Information

Molecular Formula
C20H18N2O5
SMILES
CC(=O)OC1(C(=O)NC(=O)NC1=O)C(CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H18N2O5/c1-13(23)27-20(17(24)21-19(26)22-18(20)25)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H2,21,22,24,25,26)
InChIKey
HPINHMNWYGYZMR-UHFFFAOYSA-N
Compound name
[5-(1,2-diphenylethyl)-2,4,6-trioxo-1,3-diazinan-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.12158 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12886 185.3
[M+Na]+ 389.11080 196.8
[M+NH4]+ 384.15540 190.7
[M+K]+ 405.08474 190.0
[M-H]- 365.11430 187.0
[M+Na-2H]- 387.09625 192.4
[M]+ 366.12103 187.1
[M]- 366.12213 187.1
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.