CID 217073

Brn 1007236

Structural Information

Molecular Formula
C9H17N2O3PS3
SMILES
CCOC1=NN=C(S1)CSP(=S)(OCC)OCC
InChI
InChI=1S/C9H17N2O3PS3/c1-4-12-9-11-10-8(18-9)7-17-15(16,13-5-2)14-6-3/h4-7H2,1-3H3
InChIKey
DPVSTXCZBAIHLX-UHFFFAOYSA-N
Compound name
diethoxy-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0139 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.02118 166.3
[M+Na]+ 351.00312 173.3
[M+NH4]+ 346.04772 172.3
[M+K]+ 366.97706 165.7
[M-H]- 327.00662 165.0
[M+Na-2H]- 348.98857 166.6
[M]+ 328.01335 167.9
[M]- 328.01445 167.9
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.