CID 483394

1-(2-hydroxy-2-oxo-1,3,6,2$l^{5}-dioxazaphosphocan-6-yl)-18-[[2-(2-hydroxy-2-oxo-1,3,6,2$l^{5}-dioxazaphosphocan-6-yl)-2-oxo-ethyl]amino]octadecan-1-one

Structural Information

Molecular Formula
C28H55N3O10P2
SMILES
C1COP(=O)(OCCN1C(=O)CCCCCCCCCCCCCCCCCNCC(=O)N2CCOP(=O)(OCC2)O)O
InChI
InChI=1S/C28H55N3O10P2/c32-27(30-18-22-38-42(34,35)39-23-19-30)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-29-26-28(33)31-20-24-40-43(36,37)41-25-21-31/h29H,1-26H2,(H,34,35)(H,36,37)
InChIKey
VDCDJEZGXBLXOI-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-2-oxo-1,3,6,2lambda5-dioxazaphosphocan-6-yl)-18-[[2-(2-hydroxy-2-oxo-1,3,6,2lambda5-dioxazaphosphocan-6-yl)-2-oxoethyl]amino]octadecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

655.33624 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 656.34352 137.0
[M+Na]+ 678.32546 137.6
[M-H]- 654.32896 137.1
[M+NH4]+ 673.37006 137.0
[M+K]+ 694.29940 138.0
[M+H-H2O]+ 638.33350 135.6
[M+HCOO]- 700.33444 137.3
[M+CH3COO]- 714.35009 254.4
[M+Na-2H]- 676.31091 135.1
[M]+ 655.33569 137.0
[M]- 655.33679 137.0
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.