CID 373087

Nsc649007

Structural Information

Molecular Formula
C38H46O12P2
SMILES
CCOC1(COC(CO1)(COP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC)COP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C38H46O12P2/c1-3-41-37(31-49-51(39,45-25-33-17-9-5-10-18-33)46-26-34-19-11-6-12-20-34)29-44-38(30-43-37,42-4-2)32-50-52(40,47-27-35-21-13-7-14-22-35)48-28-36-23-15-8-16-24-36/h5-24H,3-4,25-32H2,1-2H3
InChIKey
VNFOSTPGFOALAJ-UHFFFAOYSA-N
Compound name
dibenzyl [5-[bis(phenylmethoxy)phosphoryloxymethyl]-2,5-diethoxy-1,4-dioxan-2-yl]methyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

756.24646 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 757.25374 273.1
[M+Na]+ 779.23568 268.5
[M-H]- 755.23918 283.2
[M+NH4]+ 774.28028 267.4
[M+K]+ 795.20962 274.3
[M+H-H2O]+ 739.24372 252.2
[M+HCOO]- 801.24466 293.7
[M+CH3COO]- 815.26031 278.3
[M+Na-2H]- 777.22113 274.6
[M]+ 756.24591 282.1
[M]- 756.24701 282.1
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.