CID 90684403

Einecs 264-819-7

Structural Information

Molecular Formula
C92H175N5O4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C/C1C(=O)N(C(=O)C1)CCNCCNCCNCCN2C(=O)C(CC2=O)/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C92H175N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-87-85-89(98)96(91(87)100)83-81-94-79-77-93-78-80-95-82-84-97-90(99)86-88(92(97)101)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/h73-76,87-88,93-95H,3-72,77-86H2,1-2H3/b75-73+,76-74+
InChIKey
XUGWBWYRBSPNOV-SBDKOWOHSA-N
Compound name
3-[(E)-octatriacont-1-enyl]-1-[2-[2-[2-[2-[3-[(E)-octatriacont-1-enyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1414.3644 Da
Monoisotopic Mass

36.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1415.3717 417.9
[M+Na]+ 1437.3536 420.6
[M+NH4]+ 1432.3982 413.8
[M+K]+ 1453.3276 428.1
[M-H]- 1413.3571 393.8
[M+Na-2H]- 1435.3391 403.3
[M]+ 1414.3639 413.1
[M]- 1414.3649 413.1
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.