CID 682107

42492-87-5

Structural Information

Molecular Formula
C18H18N2O2
SMILES
C1C(=O)N(CC(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H18N2O2/c21-17-14-20(12-16-9-5-2-6-10-16)18(22)13-19(17)11-15-7-3-1-4-8-15/h1-10H,11-14H2
InChIKey
IQRPFFBYORNALN-UHFFFAOYSA-N
Compound name
1,4-dibenzylpiperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

294.13684 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 170.0
[M+Na]+ 317.12606 176.3
[M-H]- 293.12956 176.2
[M+NH4]+ 312.17066 181.8
[M+K]+ 333.10000 170.8
[M+H-H2O]+ 277.13410 159.2
[M+HCOO]- 339.13504 188.0
[M+CH3COO]- 353.15069 180.1
[M+Na-2H]- 315.11151 173.1
[M]+ 294.13629 166.9
[M]- 294.13739 166.9
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