CID 483393

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

Structural Information

Molecular Formula
C32H63N3O10P2
SMILES
CC1CN(CC(OP(=O)(O1)O)C)C(=O)CCCCCCCCCCCCCCCCCNCC(=O)N2CC(OP(=O)(OC(C2)C)O)C
InChI
InChI=1S/C32H63N3O10P2/c1-27-23-34(24-28(2)43-46(38,39)42-27)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)44-47(40,41)45-30(4)26-35/h27-30,33H,5-26H2,1-4H3,(H,38,39)(H,40,41)
InChIKey
NQIPDGKCMUUDLA-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-4,8-dimethyl-2-oxo-1,3,6,2lambda5-dioxazaphosphocan-6-yl)-18-[[2-(2-hydroxy-4,8-dimethyl-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

711.39886 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 712.40614 140.9
[M+Na]+ 734.38808 141.6
[M-H]- 710.39158 141.0
[M+NH4]+ 729.43268 140.8
[M+K]+ 750.36202 141.9
[M+H-H2O]+ 694.39612 139.5
[M+HCOO]- 756.39706 141.0
[M+CH3COO]- 770.41271 255.0
[M+Na-2H]- 732.37353 138.6
[M]+ 711.39831 140.9
[M]- 711.39941 140.9
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.