CID 16829

2308-61-4

Structural Information

Molecular Formula
C18H18N2O2
SMILES
C1=CC=C(C=C1)CC2C(=O)NC(C(=O)N2)CC3=CC=CC=C3
InChI
InChI=1S/C18H18N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,22)(H,20,21)
InChIKey
JUAPMRSLDANLAS-UHFFFAOYSA-N
Compound name
3,6-dibenzylpiperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

185
Patents

294.13684 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.144116 170.6
[M+Na]+ 317.126058 176.0
[M-H]- 293.129564 174.1
[M+NH4]+ 312.170663 181.1
[M+K]+ 333.099998 168.8
[M+H-H2O]+ 277.134100 160.5
[M+HCOO]- 339.135041 185.6
[M+CH3COO]- 353.150691 179.3
[M+Na-2H]- 315.111506 172.9
[M]+ 294.13629142 163.9
[M]- 294.13738858 163.9
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