CID 90684404

Einecs 264-823-9

Structural Information

Molecular Formula
C96H187N5O4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1CC(=O)N(C1=O)CCNCCNCCNCCN2C(=O)CC(C2=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C96H187N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-91-89-93(102)100(95(91)104)87-85-98-83-81-97-82-84-99-86-88-101-94(103)90-92(96(101)105)80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h91-92,97-99H,3-90H2,1-2H3
InChIKey
ANFXQNXZINWBMH-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1474.4583 Da
Monoisotopic Mass

39.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1475.4656 426.0
[M+Na]+ 1497.4475 427.5
[M+NH4]+ 1492.4921 421.9
[M+K]+ 1513.4215 436.3
[M-H]- 1473.4510 399.5
[M+Na-2H]- 1495.4330 410.1
[M]+ 1474.4578 420.5
[M]- 1474.4588 420.5
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.