CID 203777

N,n'-(1,4-piperazinediyldimethylene)bis(2-methyl-2-phenylsuccinimide)

Structural Information

Molecular Formula
C28H32N4O4
SMILES
CC1(CC(=O)N(C1=O)CN2CCN(CC2)CN3C(=O)CC(C3=O)(C)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H32N4O4/c1-27(21-9-5-3-6-10-21)17-23(33)31(25(27)35)19-29-13-15-30(16-14-29)20-32-24(34)18-28(2,26(32)36)22-11-7-4-8-12-22/h3-12H,13-20H2,1-2H3
InChIKey
YVXGCGZGZSSGEN-UHFFFAOYSA-N
Compound name
3-methyl-1-[[4-[(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)methyl]piperazin-1-yl]methyl]-3-phenylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.24237 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.24965 217.4
[M+Na]+ 511.23159 222.8
[M-H]- 487.23509 227.6
[M+NH4]+ 506.27619 225.5
[M+K]+ 527.20553 216.5
[M+H-H2O]+ 471.23963 204.6
[M+HCOO]- 533.24057 228.4
[M+CH3COO]- 547.25622 223.7
[M+Na-2H]- 509.21704 209.7
[M]+ 488.24182 213.3
[M]- 488.24292 213.3
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.