CID 90123

23497-05-4

Structural Information

Molecular Formula
C10H25NO6P2S
SMILES
CCCOP(=O)(NCCSP(=O)(OC)OC)OCCC
InChI
InChI=1S/C10H25NO6P2S/c1-5-8-16-18(12,17-9-6-2)11-7-10-20-19(13,14-3)15-4/h5-10H2,1-4H3,(H,11,12)
InChIKey
KIVDJMSXOULQGV-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphorylsulfanyl-N-dipropoxyphosphorylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.08777 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09505 178.7
[M+Na]+ 372.07699 182.3
[M-H]- 348.08049 175.8
[M+NH4]+ 367.12159 194.0
[M+K]+ 388.05093 182.2
[M+H-H2O]+ 332.08503 167.3
[M+HCOO]- 394.08597 210.6
[M+CH3COO]- 408.10162 213.2
[M+Na-2H]- 370.06244 178.6
[M]+ 349.08722 191.0
[M]- 349.08832 191.0
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.