CID 111998

10080-80-5

Structural Information

Molecular Formula
C10H21N2O6PS2
SMILES
CN(C(=O)CC(C(=O)N(C)OC)SP(=S)(OC)OC)OC
InChI
InChI=1S/C10H21N2O6PS2/c1-11(15-3)9(13)7-8(10(14)12(2)16-4)21-19(20,17-5)18-6/h8H,7H2,1-6H3
InChIKey
LNICFUYFCDFXLP-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphinothioylsulfanyl-N,N'-dimethoxy-N,N'-dimethylbutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.05786 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.065136 174.7
[M+Na]+ 383.047078 176.5
[M-H]- 359.050584 175.1
[M+NH4]+ 378.091683 213.0
[M+K]+ 399.021018 178.0
[M+H-H2O]+ 343.055120 164.5
[M+HCOO]- 405.056061 191.5
[M+CH3COO]- 419.071711 221.3
[M+Na-2H]- 381.032526 171.1
[M]+ 360.05731142 185.4
[M]- 360.05840858 185.4
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.