CID 19713

3853-74-5

Structural Information

Molecular Formula
C10H22NO4PS3
SMILES
CCNC(=O)OCCSCSP(=S)(OC)OC(C)C
InChI
InChI=1S/C10H22NO4PS3/c1-5-11-10(12)14-6-7-18-8-19-16(17,13-4)15-9(2)3/h9H,5-8H2,1-4H3,(H,11,12)
InChIKey
FMNOHKQQEIWPRE-UHFFFAOYSA-N
Compound name
2-[[methoxy(propan-2-yloxy)phosphinothioyl]sulfanylmethylsulfanyl]ethyl N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.04486 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.05214 171.6
[M+Na]+ 370.03408 173.9
[M-H]- 346.03758 168.3
[M+NH4]+ 365.07868 184.6
[M+K]+ 386.00802 169.2
[M+H-H2O]+ 330.04212 161.5
[M+HCOO]- 392.04306 181.0
[M+CH3COO]- 406.05871 210.7
[M+Na-2H]- 368.01953 167.8
[M]+ 347.04431 177.6
[M]- 347.04541 177.6
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.