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
2
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 299.2
[M+Na]+ 790.64322 312.3
[M-H]- 766.64672 286.7
[M+NH4]+ 785.68782 301.7
[M+K]+ 806.61716 308.8
[M+H-H2O]+ 750.65126 299.6
[M+HCOO]- 812.65220 316.4
[M+CH3COO]- 826.66785 300.3
[M+Na-2H]- 788.62867 278.8
[M]+ 767.65345 297.3
[M]- 767.65455 297.3
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.