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]+ 361.06514 174.7
[M+Na]+ 383.04708 176.5
[M-H]- 359.05058 175.1
[M+NH4]+ 378.09168 213.0
[M+K]+ 399.02102 178.0
[M+H-H2O]+ 343.05512 164.5
[M+HCOO]- 405.05606 191.5
[M+CH3COO]- 419.07171 221.3
[M+Na-2H]- 381.03253 171.1
[M]+ 360.05731 185.4
[M]- 360.05841 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.