CID 165361786

Dtxsid801343413

Structural Information

Molecular Formula
C48H85N3O4
SMILES
CCCCCCCCCCCCCCCCC=CC1CC(=O)N(C1=O)CCNCCN2C(=O)CC(C2=O)C=CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C48H85N3O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-43-41-45(52)50(47(43)54)39-37-49-38-40-51-46(53)42-44(48(51)55)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36,43-44,49H,3-32,37-42H2,1-2H3
InChIKey
JBJKXINFXMMPNN-UHFFFAOYSA-N
Compound name
3-octadec-1-enyl-1-[2-[2-(3-octadec-1-enyl-2,5-dioxopyrrolidin-1-yl)ethylamino]ethyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

767.654 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 768.66128 298.8
[M+Na]+ 790.64322 300.9
[M+NH4]+ 785.68782 294.5
[M+K]+ 806.61716 300.7
[M-H]- 766.64672 282.9
[M+Na-2H]- 788.62867 294.3
[M]+ 767.65345 294.7
[M]- 767.65455 294.7
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.