CID 202898

Brn 0766466

Structural Information

Molecular Formula
C24H22N2O2
SMILES
CC1=C(C=C(C=C1)C2=CC=CC=C2)N3C(=O)CN(CC3=O)CC4=CC=CC=C4
InChI
InChI=1S/C24H22N2O2/c1-18-12-13-21(20-10-6-3-7-11-20)14-22(18)26-23(27)16-25(17-24(26)28)15-19-8-4-2-5-9-19/h2-14H,15-17H2,1H3
InChIKey
PGRRFEYBIUJZBQ-UHFFFAOYSA-N
Compound name
4-benzyl-1-(2-methyl-5-phenylphenyl)piperazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.16812 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17540 192.6
[M+Na]+ 393.15734 210.2
[M+NH4]+ 388.20194 200.4
[M+K]+ 409.13128 200.0
[M-H]- 369.16084 200.7
[M+Na-2H]- 391.14279 204.0
[M]+ 370.16757 197.6
[M]- 370.16867 197.6
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.