CID 9576747

28789-79-9

Structural Information

Molecular Formula
C9H19N2O4PS2
SMILES
CC(C)(/C=N/OC(=O)N(C)P(=S)(OC)OC)SC
InChI
InChI=1S/C9H19N2O4PS2/c1-9(2,18-6)7-10-15-8(12)11(3)16(17,13-4)14-5/h7H,1-6H3/b10-7+
InChIKey
BHSKOFFFXRBQIQ-JXMROGBWSA-N
Compound name
[(E)-(2-methyl-2-methylsulfanylpropylidene)amino] N-dimethoxyphosphinothioyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0524 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.05968 170.9
[M+Na]+ 337.04162 174.8
[M+NH4]+ 332.08622 175.5
[M+K]+ 353.01556 169.8
[M-H]- 313.04512 168.1
[M+Na-2H]- 335.02707 170.5
[M]+ 314.05185 171.1
[M]- 314.05295 171.1
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.