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 163.0
[M+Na]+ 351.00312 170.7
[M-H]- 327.00662 162.3
[M+NH4]+ 346.04772 177.5
[M+K]+ 366.97706 166.3
[M+H-H2O]+ 311.01116 153.9
[M+HCOO]- 373.01210 174.7
[M+CH3COO]- 387.02775 203.8
[M+Na-2H]- 348.98857 159.7
[M]+ 328.01335 170.2
[M]- 328.01445 170.2
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.