CID 90129

23497-23-6

Structural Information

Molecular Formula
C14H33NO6P2S
SMILES
CCCOP(=O)(NCCSP(=O)(OCCC)OCCC)OCCC
InChI
InChI=1S/C14H33NO6P2S/c1-5-10-18-22(16,19-11-6-2)15-9-14-24-23(17,20-12-7-3)21-13-8-4/h5-14H2,1-4H3,(H,15,16)
InChIKey
XCKLLXVLRBVDKH-UHFFFAOYSA-N
Compound name
N-dipropoxyphosphoryl-2-dipropoxyphosphorylsulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.1504 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.15768 207.1
[M+Na]+ 428.13962 210.5
[M-H]- 404.14312 199.1
[M+NH4]+ 423.18422 209.3
[M+K]+ 444.11356 203.4
[M+H-H2O]+ 388.14766 184.8
[M+HCOO]- 450.14860 224.4
[M+CH3COO]- 464.16425 225.0
[M+Na-2H]- 426.12507 191.6
[M]+ 405.14985 205.5
[M]- 405.15095 205.5
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.