CID 217085

Brn 1004586

Structural Information

Molecular Formula
C8H15N2O2PS4
SMILES
CC(C)SC1=NN=C(S1)CSP(=S)(OC)OC
InChI
InChI=1S/C8H15N2O2PS4/c1-6(2)16-8-10-9-7(17-8)5-15-13(14,11-3)12-4/h6H,5H2,1-4H3
InChIKey
XXMZWYMTGIEVNI-UHFFFAOYSA-N
Compound name
dimethoxy-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.9754 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.98268 161.3
[M+Na]+ 352.96462 168.9
[M-H]- 328.96812 159.6
[M+NH4]+ 348.00922 174.9
[M+K]+ 368.93856 162.3
[M+H-H2O]+ 312.97266 152.5
[M+HCOO]- 374.97360 166.0
[M+CH3COO]- 388.98925 205.5
[M+Na-2H]- 350.95007 157.2
[M]+ 329.97485 163.6
[M]- 329.97595 163.6
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.