CID 739118

Brn 0756519

Structural Information

Molecular Formula
C16H21N3O2
SMILES
C1CC(=O)N(C1=O)CN2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C16H21N3O2/c20-15-6-7-16(21)19(15)13-18-10-8-17(9-11-18)12-14-4-2-1-3-5-14/h1-5H,6-13H2
InChIKey
WIJICIRJAQSICP-UHFFFAOYSA-N
Compound name
1-[(4-benzylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.1634 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 170.5
[M+Na]+ 310.15262 181.9
[M+NH4]+ 305.19722 177.2
[M+K]+ 326.12656 176.8
[M-H]- 286.15612 173.6
[M+Na-2H]- 308.13807 176.2
[M]+ 287.16285 172.6
[M]- 287.16395 172.6
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

No patent data available for this compound.