CID 3024368

Brn 0759748

Structural Information

Molecular Formula
C16H20ClN3O2
SMILES
C1CC(=O)N(C1=O)CN2CCN(CC2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H20ClN3O2/c17-14-3-1-13(2-4-14)11-18-7-9-19(10-8-18)12-20-15(21)5-6-16(20)22/h1-4H,5-12H2
InChIKey
ZHYXEMSHPBOCAP-UHFFFAOYSA-N
Compound name
1-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1244 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.131676 177.0
[M+Na]+ 344.113618 183.5
[M-H]- 320.117124 181.5
[M+NH4]+ 339.158223 189.2
[M+K]+ 360.087558 177.4
[M+H-H2O]+ 304.121660 166.5
[M+HCOO]- 366.122601 187.4
[M+CH3COO]- 380.138251 186.0
[M+Na-2H]- 342.099066 174.7
[M]+ 321.12385142 174.1
[M]- 321.12494858 174.1
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.