CID 3054071

Brn 0827037

Structural Information

Molecular Formula
C16H20ClN3O2
SMILES
C1CN(CCN1)CCN2C(=O)CC(C2=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H20ClN3O2/c17-13-3-1-12(2-4-13)14-11-15(21)20(16(14)22)10-9-19-7-5-18-6-8-19/h1-4,14,18H,5-11H2
InChIKey
DKDLCMGKGQNDRM-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-(2-piperazin-1-ylethyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1244 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.13168 177.3
[M+Na]+ 344.11362 183.3
[M-H]- 320.11712 180.5
[M+NH4]+ 339.15822 188.8
[M+K]+ 360.08756 176.5
[M+H-H2O]+ 304.12166 167.2
[M+HCOO]- 366.12260 186.3
[M+CH3COO]- 380.13825 185.7
[M+Na-2H]- 342.09907 174.6
[M]+ 321.12385 172.6
[M]- 321.12495 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.