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 185.2
[M+Na]+ 389.11080 190.2
[M-H]- 365.11430 189.1
[M+NH4]+ 384.15540 194.2
[M+K]+ 405.08474 185.3
[M+H-H2O]+ 349.11884 175.3
[M+HCOO]- 411.11978 198.5
[M+CH3COO]- 425.13543 209.5
[M+Na-2H]- 387.09625 185.9
[M]+ 366.12103 181.3
[M]- 366.12213 181.3
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.