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 433.3
[M+Na]+ 1497.4475 439.5
[M-H]- 1473.4510 407.5
[M+NH4]+ 1492.4921 434.3
[M+K]+ 1513.4215 454.2
[M+H-H2O]+ 1457.4556 428.8
[M+HCOO]- 1519.4565 429.2
[M+CH3COO]- 1533.4722 415.3
[M+Na-2H]- 1495.4330 397.7
[M]+ 1474.4578 436.0
[M]- 1474.4588 436.0
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.