CID 115826

64347-13-3

Structural Information

Molecular Formula
C58H107N5O4
SMILES
CCCCCCCCCCCCCC=CCCCCCCCC1CC(=O)N(C1=O)CCNCCNCCNCCN2C(=O)CC(C2=O)CCCCCCCCCCC=CCCCCCCCC
InChI
InChI=1S/C58H107N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-54-52-56(65)63(58(54)67)50-48-61-46-44-59-43-45-60-47-49-62-55(64)51-53(57(62)66)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h18,20,26,28,53-54,59-61H,3-17,19,21-25,27,29-52H2,1-2H3
InChIKey
HYDOXQCBUYBXSU-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-[2-(3-docos-8-enyl-2,5-dioxopyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-icos-11-enylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

937.83234 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 938.83962 341.9
[M+Na]+ 960.82156 355.0
[M-H]- 936.82506 330.0
[M+NH4]+ 955.86616 342.2
[M+K]+ 976.79550 353.7
[M+H-H2O]+ 920.82960 339.2
[M+HCOO]- 982.83054 351.1
[M+CH3COO]- 996.84619 335.9
[M+Na-2H]- 958.80701 316.6
[M]+ 937.83179 335.8
[M]- 937.83289 335.8
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.