CID 6441935

2,5-pyrrolidinedione, 1-(2-((2-((2-((2-(3-(dotetraconten-1-yl)-2,5-dioxo-1-pyrrolidinyl)ethyl)amino)ethyl)amino)ethyl)amino)ethyl)-3-(octatriaconten-1-yl)-

Structural Information

Molecular Formula
C96H183N5O4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C/C1CC(=O)N(C1=O)CCNCCNCCNCCN2C(=O)CC(C2=O)/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C96H183N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-43-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-78-80-92-90-94(103)101(96(92)105)88-86-99-84-82-97-81-83-98-85-87-100-93(102)89-91(95(100)104)79-77-75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h77-80,91-92,97-99H,3-76,81-90H2,1-2H3/b79-77+,80-78+
InChIKey
OVPXOEFOIIUFPE-UAILKWJZSA-N
Compound name
1-[2-[2-[2-[2-[3-[(E)-dotetracont-1-enyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]-3-[(E)-octatriacont-1-enyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1470.427 Da
Monoisotopic Mass

38.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1471.4343 428.4
[M+Na]+ 1493.4162 435.7
[M-H]- 1469.4197 404.1
[M+NH4]+ 1488.4608 429.8
[M+K]+ 1509.3902 449.5
[M+H-H2O]+ 1453.4243 423.9
[M+HCOO]- 1515.4252 425.8
[M+CH3COO]- 1529.4409 414.8
[M+Na-2H]- 1491.4017 393.7
[M]+ 1470.4265 430.6
[M]- 1470.4275 430.6
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.