CID 6335118

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

Structural Information

Molecular Formula
C28H53N3O8P2
SMILES
C1CO[P+](=O)OCCN1C(=O)CCCCCCCCCCCCCCCCCNCC(=O)N2CCO[P+](=O)OCC2
InChI
InChI=1S/C28H53N3O8P2/c32-27(30-18-22-36-40(34)37-23-19-30)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-29-26-28(33)31-20-24-38-41(35)39-25-21-31/h29H,1-26H2/q+2
InChIKey
VQVLGIXPQQJEIG-UHFFFAOYSA-N
Compound name
1-(2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)-18-[[2-oxo-2-(2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethyl]amino]octadecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

621.3308 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 622.33808 130.8
[M+Na]+ 644.32002 131.5
[M-H]- 620.32352 131.1
[M+NH4]+ 639.36462 130.8
[M+K]+ 660.29396 131.5
[M+H-H2O]+ 604.32806 129.8
[M+HCOO]- 666.32900 131.4
[M+CH3COO]- 680.34465 253.9
[M+Na-2H]- 642.30547 129.7
[M]+ 621.33025 130.9
[M]- 621.33135 130.9
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.