CID 89134

21988-59-0

Structural Information

Molecular Formula
C20H29NO6P2S
SMILES
CCCOP(=O)(OCCC)SCCNP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C20H29NO6P2S/c1-3-16-24-29(23,25-17-4-2)30-18-15-21-28(22,26-19-11-7-5-8-12-19)27-20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3,(H,21,22)
InChIKey
QVSVMRXWPUQWLC-UHFFFAOYSA-N
Compound name
N-diphenoxyphosphoryl-2-dipropoxyphosphorylsulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.11908 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.12636 208.6
[M+Na]+ 496.10830 210.0
[M-H]- 472.11180 211.2
[M+NH4]+ 491.15290 216.6
[M+K]+ 512.08224 207.7
[M+H-H2O]+ 456.11634 193.8
[M+HCOO]- 518.11728 235.9
[M+CH3COO]- 532.13293 234.0
[M+Na-2H]- 494.09375 208.5
[M]+ 473.11853 218.0
[M]- 473.11963 218.0
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.