CID 6441938

Einecs 264-832-8

Structural Information

Molecular Formula
C92H175N5O4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C/C1CC(=O)N(C1=O)CCNCCNCCNCCN2C(=O)CC(C2=O)/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C92H175N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-41-42-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-88-86-90(99)97(92(88)101)84-82-95-80-78-93-77-79-94-81-83-96-89(98)85-87(91(96)100)75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-43-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h73-76,87-88,93-95H,3-72,77-86H2,1-2H3/b75-73+,76-74+
InChIKey
CFPXYPVVBUPQNQ-SBDKOWOHSA-N
Compound name
1-[2-[2-[2-[2-[2,5-dioxo-3-[(E)-tetracont-1-enyl]pyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]-3-[(E)-hexatriacont-1-enyl]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 421.0
[M+Na]+ 1437.3536 428.8
[M-H]- 1413.3571 397.9
[M+NH4]+ 1432.3982 422.1
[M+K]+ 1453.3276 441.1
[M+H-H2O]+ 1397.3617 416.6
[M+HCOO]- 1459.3626 419.5
[M+CH3COO]- 1473.3783 408.0
[M+Na-2H]- 1435.3391 387.0
[M]+ 1414.3639 421.9
[M]- 1414.3649 421.9
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.