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 167.2
[M+Na]+ 337.04162 171.4
[M-H]- 313.04512 168.2
[M+NH4]+ 332.08622 183.2
[M+K]+ 353.01556 170.8
[M+H-H2O]+ 297.04966 157.6
[M+HCOO]- 359.05060 185.5
[M+CH3COO]- 373.06625 211.6
[M+Na-2H]- 335.02707 166.8
[M]+ 314.05185 175.9
[M]- 314.05295 175.9
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.