CID 53422288

52501-07-2

Structural Information

Molecular Formula
C56H103N5O4
SMILES
CCCCCCCCCCCCCCCCCCCCC=CC1CC(=O)N(C1=O)CCNCCNCCNCCN2C(=O)CC(C2=O)C=CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C56H103N5O4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-52-50-54(63)61(56(52)65)48-46-59-44-42-57-41-43-58-45-47-60-53(62)49-51(55(60)64)39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h37-40,51-52,57-59H,3-36,41-50H2,1-2H3
InChIKey
BSUOJTKUSSISDB-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-[2-(3-docos-1-enyl-2,5-dioxopyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-octadec-1-enylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

909.801 Da
Monoisotopic Mass

17.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 910.80828 332.0
[M+Na]+ 932.79022 338.1
[M+NH4]+ 927.83482 328.6
[M+K]+ 948.76416 338.0
[M-H]- 908.79372 318.3
[M+Na-2H]- 930.77567 326.3
[M]+ 909.80045 329.4
[M]- 909.80155 329.4
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.