CID 115802

Ltdafwffpklwnp-uhfffaoysa-n

Structural Information

Molecular Formula
C56H103N5O4
SMILES
CCCCCCCCCCCCCC=CCCCCCCCC1CC(=O)N(C1=O)CCNCCNCCNCCN2C(=O)CC(C2=O)CCCCCCCCCCC=CCCCCCC
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/h14,16,24,26,51-52,57-59H,3-13,15,17-23,25,27-50H2,1-2H3
InChIKey
LTDAFWFFPKLWNP-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-[2-(3-docos-8-enyl-2,5-dioxopyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-octadec-11-enylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

909.801 Da
Monoisotopic Mass

16.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 910.80828 336.3
[M+Na]+ 932.79022 349.8
[M-H]- 908.79372 325.2
[M+NH4]+ 927.83482 336.7
[M+K]+ 948.76416 347.7
[M+H-H2O]+ 892.79826 333.8
[M+HCOO]- 954.79920 346.2
[M+CH3COO]- 968.81485 331.0
[M+Na-2H]- 930.77567 311.7
[M]+ 909.80045 330.1
[M]- 909.80155 330.1
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.