CID 6335117

1-(4,8-dimethyl-2-oxo-1,3,6,2$l^{5}-dioxazaphosphocan-6-yl)-18-[[2-(4,8-dimethyl-2-oxo-1,3,6,2$l^{5}-dioxazaphosphocan-6-yl)-2-oxo-ethyl]amino]octadecan-1-one

Structural Information

Molecular Formula
C32H61N3O8P2
SMILES
CC1CN(CC(O[P+](=O)O1)C)C(=O)CCCCCCCCCCCCCCCCCNCC(=O)N2CC(O[P+](=O)OC(C2)C)C
InChI
InChI=1S/C32H61N3O8P2/c1-27-23-34(24-28(2)41-44(38)40-27)31(36)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-33-22-32(37)35-25-29(3)42-45(39)43-30(4)26-35/h27-30,33H,5-26H2,1-4H3/q+2
InChIKey
DINAHRLUSGSSJW-UHFFFAOYSA-N
Compound name
1-(4,8-dimethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)-18-[[2-(4,8-dimethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)-2-oxoethyl]amino]octadecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

677.3934 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 678.40068 134.7
[M+Na]+ 700.38262 135.4
[M-H]- 676.38612 358.4
[M+NH4]+ 695.42722 358.7
[M+K]+ 716.35656 135.4
[M+H-H2O]+ 660.39066 133.6
[M+HCOO]- 722.39160 359.7
[M+CH3COO]- 736.40725 254.5
[M+Na-2H]- 698.36807 133.1
[M]+ 677.39285 358.1
[M]- 677.39395 358.1
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.