CID 3085290

64347-11-1

Structural Information

Molecular Formula
C56H107N5O4
SMILES
CCCCCCCCCCCCCCCCCCCC[C@H]1CC(=O)N(C1=O)CCNCCNCCNCCN2C(=O)C[C@H](C2=O)CCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C56H107N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-51-49-53(62)60(55(51)64)47-45-58-43-41-57-42-44-59-46-48-61-54(63)50-52(56(61)65)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h51-52,57-59H,3-50H2,1-2H3/t51-,52+
InChIKey
CRDDSCJVQRMILY-NZUCHVTOSA-N
Compound name
(3R)-3-icosyl-1-[2-[2-[2-[2-[(3S)-3-icosyl-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

913.83234 Da
Monoisotopic Mass

18.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 914.83962 335.2
[M+Na]+ 936.82156 340.5
[M+NH4]+ 931.86616 331.8
[M+K]+ 952.79550 340.6
[M-H]- 912.82506 320.1
[M+Na-2H]- 934.80701 328.8
[M]+ 913.83179 332.1
[M]- 913.83289 332.1
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.