CID 2259642

106148-27-0

Structural Information

Molecular Formula
C19H20N2O2
SMILES
C1C(=O)N(C(=O)CN1CC2=CC=CC=C2)CCC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O2/c22-18-14-20(13-17-9-5-2-6-10-17)15-19(23)21(18)12-11-16-7-3-1-4-8-16/h1-10H,11-15H2
InChIKey
FDHZQDHDJVZPMI-UHFFFAOYSA-N
Compound name
4-benzyl-1-(2-phenylethyl)piperazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

308.15247 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 174.5
[M+Na]+ 331.14169 180.2
[M-H]- 307.14519 180.4
[M+NH4]+ 326.18629 185.7
[M+K]+ 347.11563 174.5
[M+H-H2O]+ 291.14973 163.4
[M+HCOO]- 353.15067 192.1
[M+CH3COO]- 367.16632 205.2
[M+Na-2H]- 329.12714 177.0
[M]+ 308.15192 171.7
[M]- 308.15302 171.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe