CID 604093

Lead ionophore i

Structural Information

Molecular Formula
C48H96N2O4
SMILES
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COCCOCC(=O)N(CCC)CCC
InChI
InChI=1S/C48H96N2O4/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-50(48(52)46-54-44-43-53-45-47(51)49(39-7-3)40-8-4)42-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h5-46H2,1-4H3
InChIKey
UKLVPVPGVSSSIB-UHFFFAOYSA-N
Compound name
2-[2-[2-(dioctadecylamino)-2-oxoethoxy]ethoxy]-N,N-dipropylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

764.737 Da
Monoisotopic Mass

18.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 765.74428 312.8
[M+Na]+ 787.72622 316.8
[M+NH4]+ 782.77082 316.7
[M+K]+ 803.70016 317.3
[M-H]- 763.72972 298.7
[M+Na-2H]- 785.71167 309.0
[M]+ 764.73645 310.6
[M]- 764.73755 310.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe