CID 203776

N,n'-(1,4-piperazinediyldimethylene)bis(2-(p-chlorophenyl)succinimide)

Structural Information

Molecular Formula
C26H26Cl2N4O4
SMILES
C1CN(CCN1CN2C(=O)CC(C2=O)C3=CC=C(C=C3)Cl)CN4C(=O)CC(C4=O)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C26H26Cl2N4O4/c27-19-5-1-17(2-6-19)21-13-23(33)31(25(21)35)15-29-9-11-30(12-10-29)16-32-24(34)14-22(26(32)36)18-3-7-20(28)8-4-18/h1-8,21-22H,9-16H2
InChIKey
DVHFQRXEIVVEKK-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-[[4-[[3-(4-chlorophenyl)-2,5-dioxopyrrolidin-1-yl]methyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.1331 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.14038 229.0
[M+Na]+ 551.12232 235.5
[M-H]- 527.12582 238.3
[M+NH4]+ 546.16692 233.2
[M+K]+ 567.09626 227.3
[M+H-H2O]+ 511.13036 216.1
[M+HCOO]- 573.13130 230.4
[M+CH3COO]- 587.14695 234.2
[M+Na-2H]- 549.10777 216.7
[M]+ 528.13255 227.7
[M]- 528.13365 227.7
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.