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 206.3
[M+Na]+ 496.10830 213.6
[M+NH4]+ 491.15290 210.0
[M+K]+ 512.08224 207.1
[M-H]- 472.11180 206.8
[M+Na-2H]- 494.09375 211.1
[M]+ 473.11853 207.5
[M]- 473.11963 207.5
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.