CID 3054070

70796-20-2

Structural Information

Molecular Formula
C16H21N3O2
SMILES
C1CN(CCN1)CCN2C(=O)CC(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C16H21N3O2/c20-15-12-14(13-4-2-1-3-5-13)16(21)19(15)11-10-18-8-6-17-7-9-18/h1-5,14,17H,6-12H2
InChIKey
DHEFZCWXCFEMGR-UHFFFAOYSA-N
Compound name
3-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1634 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.170676 170.0
[M+Na]+ 310.152618 174.4
[M-H]- 286.156124 173.1
[M+NH4]+ 305.197223 181.8
[M+K]+ 326.126558 169.1
[M+H-H2O]+ 270.160660 159.6
[M+HCOO]- 332.161601 183.8
[M+CH3COO]- 346.177251 178.6
[M+Na-2H]- 308.138066 168.7
[M]+ 287.16285142 163.0
[M]- 287.16394858 163.0
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.